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/d2-6e43acf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa: 1
curr_seq: _UAGUCUUAGAACAUGGAAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAGUCUUAGAACAUGGAAGCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa: 1
curr_seq: _UAGUCUUAGAACAUGGAAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAGUCUUAGAACAUGGAAGCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa: 1
curr_seq: _UAGUCUUAGAACAUGGAAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAGUCUUAGAACAUGGAAGCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa: 1
curr_seq: _UAGUCUUAGAACAUGGAAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAGUCUUAGAACAUGGAAGCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa: 1
curr_seq: _UAGUCUUAGAACAUGGAAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAGUCUUAGAACAUGGAAGCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa: 1
curr_seq: _UAGUCUUAGAACAUGGAAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAGUCUUAGAACAUGGAAGCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa: 1
curr_seq: _UAGUCUUAGAACAUGGAAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAGUCUUAGAACAUGGAAGCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa: 1
curr_seq: _UAGUCUUAGAACAUGGAAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAGUCUUAGAACAUGGAAGCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa: 1
curr_seq: _UAGUCUUAGAACAUGGAAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAGUCUUAGAACAUGGAAGCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/d2-6e43acf9/inputs/seq.fa: 1
curr_seq: _UAGUCUUAGAACAUGGAAGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAGUCUUAGAACAUGGAAGCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -79.064715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064715 (E_RNA)
where:
Base-Base interactions energy: -0.882
where: short stacking energy: -0.882
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -79.064715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064715 (E_RNA)
where:
Base-Base interactions energy: -0.882
where: short stacking energy: -0.882
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -79.064715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064715 (E_RNA)
where:
Base-Base interactions energy: -0.882
where: short stacking energy: -0.882
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -79.064715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064715 (E_RNA)
where:
Base-Base interactions energy: -0.882
where: short stacking energy: -0.882
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -79.064715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064715 (E_RNA)
where:
Base-Base interactions energy: -0.882
where: short stacking energy: -0.882
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -79.064715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064715 (E_RNA)
where:
Base-Base interactions energy: -0.882
where: short stacking energy: -0.882
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -79.064715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064715 (E_RNA)
where:
Base-Base interactions energy: -0.882
where: short stacking energy: -0.882
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -79.064715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064715 (E_RNA)
where:
Base-Base interactions energy: -0.882
where: short stacking energy: -0.882
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -79.064715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064715 (E_RNA)
where:
Base-Base interactions energy: -0.882
where: short stacking energy: -0.882
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -79.064715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064715 (E_RNA)
where:
Base-Base interactions energy: -0.882
where: short stacking energy: -0.882
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -138.651421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.651421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.651421 (E_RNA)
where:
Base-Base interactions energy: -64.241
where: short stacking energy: -49.940
Base-Backbone interact. energy: -0.063
local terms energy: -74.347363
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -119.186576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.186576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.186576 (E_RNA)
where:
Base-Base interactions energy: -44.138
where: short stacking energy: -39.859
Base-Backbone interact. energy: -0.096
local terms energy: -74.952371
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -13.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -110.053821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.053821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.053821 (E_RNA)
where:
Base-Base interactions energy: -42.375
where: short stacking energy: -42.292
Base-Backbone interact. energy: 0.466
local terms energy: -68.144653
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -14.760
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -113.475509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.475509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.475509 (E_RNA)
where:
Base-Base interactions energy: -59.329
where: short stacking energy: -47.497
Base-Backbone interact. energy: -0.261
local terms energy: -53.886239
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -6.282
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -125.295106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.295106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.295106 (E_RNA)
where:
Base-Base interactions energy: -59.574
where: short stacking energy: -39.736
Base-Backbone interact. energy: -0.172
local terms energy: -65.548494
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -12.546
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -136.280638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.280638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.280638 (E_RNA)
where:
Base-Base interactions energy: -73.838
where: short stacking energy: -50.235
Base-Backbone interact. energy: -0.150
local terms energy: -62.292557
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -11.416
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -91.491649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.491649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.491649 (E_RNA)
where:
Base-Base interactions energy: -36.067
where: short stacking energy: -29.991
Base-Backbone interact. energy: -0.119
local terms energy: -55.306046
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -10.616
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -89.322032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.322032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.322032 (E_RNA)
where:
Base-Base interactions energy: -38.142
where: short stacking energy: -24.606
Base-Backbone interact. energy: -0.052
local terms energy: -51.127842
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -77.949430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.949430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.949430 (E_RNA)
where:
Base-Base interactions energy: -0.882
where: short stacking energy: -0.882
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -77.889898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.889898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.889898 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -77.889860
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -150.990942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.990942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.990942 (E_RNA)
where:
Base-Base interactions energy: -88.659
where: short stacking energy: -49.285
Base-Backbone interact. energy: -0.006
local terms energy: -62.326064
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -128.552731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.552731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.552731 (E_RNA)
where:
Base-Base interactions energy: -65.295
where: short stacking energy: -52.020
Base-Backbone interact. energy: -0.067
local terms energy: -63.190922
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -9.723
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: 3
Temperature: 1.000000
Total energy: -164.730357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.730357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.730357 (E_RNA)
where:
Base-Base interactions energy: -98.902
where: short stacking energy: -55.589
Base-Backbone interact. energy: -0.027
local terms energy: -65.801185
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -12.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -115.942698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.942698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.942698 (E_RNA)
where:
Base-Base interactions energy: -57.020
where: short stacking energy: -33.215
Base-Backbone interact. energy: 0.203
local terms energy: -59.125550
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -130.081803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.081803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.081803 (E_RNA)
where:
Base-Base interactions energy: -68.311
where: short stacking energy: -52.150
Base-Backbone interact. energy: -0.151
local terms energy: -61.619893
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -6.255
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: 3
Temperature: 1.150000
Total energy: -101.465254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.465254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.465254 (E_RNA)
where:
Base-Base interactions energy: -45.458
where: short stacking energy: -25.643
Base-Backbone interact. energy: -0.683
local terms energy: -55.323464
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -5.212
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -90.269008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.269008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.269008 (E_RNA)
where:
Base-Base interactions energy: -31.065
where: short stacking energy: -26.153
Base-Backbone interact. energy: -0.113
local terms energy: -59.090886
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -5.345
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -106.491897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.491897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.491897 (E_RNA)
where:
Base-Base interactions energy: -53.437
where: short stacking energy: -31.256
Base-Backbone interact. energy: -0.285
local terms energy: -52.769666
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -5.625
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -75.249675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.249675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.249675 (E_RNA)
where:
Base-Base interactions energy: -35.597
where: short stacking energy: -28.338
Base-Backbone interact. energy: 0.019
local terms energy: -39.672446
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -8.229
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -69.740404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.740404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.740404 (E_RNA)
where:
Base-Base interactions energy: -22.094
where: short stacking energy: -22.094
Base-Backbone interact. energy: -0.149
local terms energy: -47.497747
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -145.765455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.765455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.765455 (E_RNA)
where:
Base-Base interactions energy: -77.342
where: short stacking energy: -58.239
Base-Backbone interact. energy: -0.051
local terms energy: -68.372450
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -11.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -162.155883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.155883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.155883 (E_RNA)
where:
Base-Base interactions energy: -95.789
where: short stacking energy: -46.918
Base-Backbone interact. energy: -0.264
local terms energy: -66.103303
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -14.068
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: 4
Temperature: 1.000000
Total energy: -178.121180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.121180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.121180 (E_RNA)
where:
Base-Base interactions energy: -110.721
where: short stacking energy: -44.959
Base-Backbone interact. energy: -0.348
local terms energy: -67.052370
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -11.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -110.207568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.207568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.207568 (E_RNA)
where:
Base-Base interactions energy: -56.235
where: short stacking energy: -37.900
Base-Backbone interact. energy: -0.216
local terms energy: -53.756837
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -8.821
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -4.828
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: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -105.091537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.091537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.091537 (E_RNA)
where:
Base-Base interactions energy: -45.888
where: short stacking energy: -35.809
Base-Backbone interact. energy: -0.108
local terms energy: -59.095911
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -10.730
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: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -102.398403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.398403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.398403 (E_RNA)
where:
Base-Base interactions energy: -50.220
where: short stacking energy: -28.411
Base-Backbone interact. energy: 1.077
local terms energy: -53.254986
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -93.987483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.987483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.987483 (E_RNA)
where:
Base-Base interactions energy: -41.718
where: short stacking energy: -21.810
Base-Backbone interact. energy: -1.652
local terms energy: -50.617607
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -8.106
flat angles P-C4'-P energy: -9.446
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: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -95.757304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.757304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.757304 (E_RNA)
where:
Base-Base interactions energy: -48.017
where: short stacking energy: -29.642
Base-Backbone interact. energy: -0.181
local terms energy: -47.559494
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -4.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -79.193055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.193055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.193055 (E_RNA)
where:
Base-Base interactions energy: -32.941
where: short stacking energy: -31.985
Base-Backbone interact. energy: -0.957
local terms energy: -45.294753
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -74.101749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.101749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.101749 (E_RNA)
where:
Base-Base interactions energy: -32.592
where: short stacking energy: -29.757
Base-Backbone interact. energy: -0.221
local terms energy: -41.289047
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -124.475065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.475065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.475065 (E_RNA)
where:
Base-Base interactions energy: -66.942
where: short stacking energy: -39.674
Base-Backbone interact. energy: -0.176
local terms energy: -57.357768
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -184.564927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.564927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.564927 (E_RNA)
where:
Base-Base interactions energy: -108.809
where: short stacking energy: -47.332
Base-Backbone interact. energy: -0.239
local terms energy: -75.517491
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -166.984627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.984627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.984627 (E_RNA)
where:
Base-Base interactions energy: -104.890
where: short stacking energy: -51.641
Base-Backbone interact. energy: -0.776
local terms energy: -61.318625
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -135.459160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.459160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.459160 (E_RNA)
where:
Base-Base interactions energy: -82.166
where: short stacking energy: -38.740
Base-Backbone interact. energy: 1.859
local terms energy: -55.151966
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -106.548648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.548648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.548648 (E_RNA)
where:
Base-Base interactions energy: -47.593
where: short stacking energy: -43.394
Base-Backbone interact. energy: -0.349
local terms energy: -58.606893
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -101.626637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.626637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.626637 (E_RNA)
where:
Base-Base interactions energy: -40.813
where: short stacking energy: -40.813
Base-Backbone interact. energy: -0.085
local terms energy: -60.728800
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -101.188175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.188175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.188175 (E_RNA)
where:
Base-Base interactions energy: -52.953
where: short stacking energy: -23.601
Base-Backbone interact. energy: 0.668
local terms energy: -48.903251
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: 1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -79.941477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.941477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.941477 (E_RNA)
where:
Base-Base interactions energy: -26.303
where: short stacking energy: -15.250
Base-Backbone interact. energy: -0.120
local terms energy: -53.518046
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -7.091
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: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -80.046202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.046202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.046202 (E_RNA)
where:
Base-Base interactions energy: -32.734
where: short stacking energy: -19.720
Base-Backbone interact. energy: -0.201
local terms energy: -47.111097
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -9.012
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -83.627057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.627057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.627057 (E_RNA)
where:
Base-Base interactions energy: -26.909
where: short stacking energy: -26.830
Base-Backbone interact. energy: -0.268
local terms energy: -56.450062
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -190.658602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.658602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.658602 (E_RNA)
where:
Base-Base interactions energy: -109.756
where: short stacking energy: -67.116
Base-Backbone interact. energy: -0.242
local terms energy: -80.660733
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -150.760464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.760464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.760464 (E_RNA)
where:
Base-Base interactions energy: -83.262
where: short stacking energy: -50.954
Base-Backbone interact. energy: -0.083
local terms energy: -67.415084
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -12.320
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: 6
Temperature: 1.000000
Total energy: -150.518478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.518478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.518478 (E_RNA)
where:
Base-Base interactions energy: -100.332
where: short stacking energy: -36.770
Base-Backbone interact. energy: 0.035
local terms energy: -50.222050
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -5.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -162.625123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.625123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.625123 (E_RNA)
where:
Base-Base interactions energy: -96.593
where: short stacking energy: -53.238
Base-Backbone interact. energy: -0.001
local terms energy: -66.030933
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -103.399747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.399747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.399747 (E_RNA)
where:
Base-Base interactions energy: -43.802
where: short stacking energy: -40.740
Base-Backbone interact. energy: -0.165
local terms energy: -59.433355
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -125.830863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.830863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.830863 (E_RNA)
where:
Base-Base interactions energy: -68.728
where: short stacking energy: -34.001
Base-Backbone interact. energy: -1.105
local terms energy: -55.997558
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -8.398
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -83.677339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.677339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.677339 (E_RNA)
where:
Base-Base interactions energy: -28.178
where: short stacking energy: -28.178
Base-Backbone interact. energy: -0.066
local terms energy: -55.433282
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -11.849
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: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -81.373241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.373241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.373241 (E_RNA)
where:
Base-Base interactions energy: -30.854
where: short stacking energy: -23.589
Base-Backbone interact. energy: -0.212
local terms energy: -50.307232
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: 2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -75.768774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.768774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.768774 (E_RNA)
where:
Base-Base interactions energy: -30.824
where: short stacking energy: -25.054
Base-Backbone interact. energy: -0.290
local terms energy: -44.655062
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -83.776259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.776259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.776259 (E_RNA)
where:
Base-Base interactions energy: -32.468
where: short stacking energy: -23.345
Base-Backbone interact. energy: -0.382
local terms energy: -50.925729
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -206.016589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.016589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.016589 (E_RNA)
where:
Base-Base interactions energy: -133.780
where: short stacking energy: -59.871
Base-Backbone interact. energy: -0.127
local terms energy: -72.109336
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -16.348
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: 6
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -164.353994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.353994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.353994 (E_RNA)
where:
Base-Base interactions energy: -98.307
where: short stacking energy: -52.759
Base-Backbone interact. energy: -0.185
local terms energy: -65.861399
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -136.659776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.659776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.659776 (E_RNA)
where:
Base-Base interactions energy: -68.292
where: short stacking energy: -39.220
Base-Backbone interact. energy: -0.669
local terms energy: -67.697841
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -11.644
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: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -165.364047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.364047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.364047 (E_RNA)
where:
Base-Base interactions energy: -108.757
where: short stacking energy: -58.945
Base-Backbone interact. energy: -0.093
local terms energy: -56.513153
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -3.102
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -108.097357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.097357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.097357 (E_RNA)
where:
Base-Base interactions energy: -47.163
where: short stacking energy: -34.285
Base-Backbone interact. energy: -0.148
local terms energy: -60.785679
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -9.868
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: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -88.466924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.466924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.466924 (E_RNA)
where:
Base-Base interactions energy: -37.295
where: short stacking energy: -33.278
Base-Backbone interact. energy: 0.417
local terms energy: -51.588952
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -4.723
tors. eta vs tors. theta energy: -7.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -87.969631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.969631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.969631 (E_RNA)
where:
Base-Base interactions energy: -34.676
where: short stacking energy: -34.676
Base-Backbone interact. energy: -0.325
local terms energy: -52.968704
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -83.469604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.469604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.469604 (E_RNA)
where:
Base-Base interactions energy: -24.659
where: short stacking energy: -24.197
Base-Backbone interact. energy: 0.690
local terms energy: -59.500534
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -93.646794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.646794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.646794 (E_RNA)
where:
Base-Base interactions energy: -43.788
where: short stacking energy: -40.355
Base-Backbone interact. energy: 0.022
local terms energy: -49.881105
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -8.363
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: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -69.820098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.820098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.820098 (E_RNA)
where:
Base-Base interactions energy: -24.500
where: short stacking energy: -23.511
Base-Backbone interact. energy: -0.122
local terms energy: -45.197961
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -4.919
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -223.909597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.909597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.909597 (E_RNA)
where:
Base-Base interactions energy: -156.528
where: short stacking energy: -66.006
Base-Backbone interact. energy: -0.445
local terms energy: -66.936332
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -12.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -182.092949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.092949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.092949 (E_RNA)
where:
Base-Base interactions energy: -128.154
where: short stacking energy: -39.144
Base-Backbone interact. energy: -0.057
local terms energy: -53.882282
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -4.029
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: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -173.529835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.529835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.529835 (E_RNA)
where:
Base-Base interactions energy: -108.775
where: short stacking energy: -57.538
Base-Backbone interact. energy: -0.261
local terms energy: -64.493907
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -131.058327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.058327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.058327 (E_RNA)
where:
Base-Base interactions energy: -70.564
where: short stacking energy: -39.815
Base-Backbone interact. energy: -0.793
local terms energy: -59.701120
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -5.522
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: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -98.627958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.627958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.627958 (E_RNA)
where:
Base-Base interactions energy: -47.459
where: short stacking energy: -35.716
Base-Backbone interact. energy: -0.187
local terms energy: -50.982336
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -8.467
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -96.221015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.221015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.221015 (E_RNA)
where:
Base-Base interactions energy: -39.673
where: short stacking energy: -33.148
Base-Backbone interact. energy: -0.228
local terms energy: -56.320666
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -90.525558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.525558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.525558 (E_RNA)
where:
Base-Base interactions energy: -32.397
where: short stacking energy: -23.433
Base-Backbone interact. energy: -0.050
local terms energy: -58.078536
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: 1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -91.728380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.728380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.728380 (E_RNA)
where:
Base-Base interactions energy: -38.413
where: short stacking energy: -26.054
Base-Backbone interact. energy: 0.986
local terms energy: -54.302012
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -82.756961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.756961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.756961 (E_RNA)
where:
Base-Base interactions energy: -33.435
where: short stacking energy: -25.978
Base-Backbone interact. energy: -0.089
local terms energy: -49.233082
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -83.694327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.694327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.694327 (E_RNA)
where:
Base-Base interactions energy: -38.839
where: short stacking energy: -27.567
Base-Backbone interact. energy: -1.283
local terms energy: -43.572580
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -10.011
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -224.804076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.804076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.804076 (E_RNA)
where:
Base-Base interactions energy: -151.950
where: short stacking energy: -52.236
Base-Backbone interact. energy: -0.792
local terms energy: -72.061834
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -198.632997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.632997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.632997 (E_RNA)
where:
Base-Base interactions energy: -133.156
where: short stacking energy: -40.850
Base-Backbone interact. energy: -0.202
local terms energy: -65.275344
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -175.097482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.097482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.097482 (E_RNA)
where:
Base-Base interactions energy: -108.271
where: short stacking energy: -63.886
Base-Backbone interact. energy: -0.012
local terms energy: -66.814178
where:
bonds (distance) C4'-P energy: -8.986
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -17.822
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: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -111.597251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.597251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.597251 (E_RNA)
where:
Base-Base interactions energy: -56.702
where: short stacking energy: -33.759
Base-Backbone interact. energy: -0.415
local terms energy: -54.480342
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -6.393
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: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -105.530517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.530517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.530517 (E_RNA)
where:
Base-Base interactions energy: -55.117
where: short stacking energy: -38.895
Base-Backbone interact. energy: -0.195
local terms energy: -50.218412
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -108.323774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.323774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.323774 (E_RNA)
where:
Base-Base interactions energy: -46.352
where: short stacking energy: -40.263
Base-Backbone interact. energy: -0.881
local terms energy: -61.090139
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -9.316
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: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -88.107211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.107211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.107211 (E_RNA)
where:
Base-Base interactions energy: -36.564
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.058
local terms energy: -51.485451
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -3.405
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: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -99.326046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.326046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.326046 (E_RNA)
where:
Base-Base interactions energy: -51.727
where: short stacking energy: -31.010
Base-Backbone interact. energy: 0.872
local terms energy: -48.471222
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -77.539785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.539785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.539785 (E_RNA)
where:
Base-Base interactions energy: -28.656
where: short stacking energy: -28.656
Base-Backbone interact. energy: 1.903
local terms energy: -50.787189
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -77.540684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.540684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.540684 (E_RNA)
where:
Base-Base interactions energy: -35.811
where: short stacking energy: -14.253
Base-Backbone interact. energy: -1.340
local terms energy: -40.389496
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: 1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -222.760628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.760628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.760628 (E_RNA)
where:
Base-Base interactions energy: -152.574
where: short stacking energy: -66.540
Base-Backbone interact. energy: -0.218
local terms energy: -69.969338
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -182.084423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.084423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.084423 (E_RNA)
where:
Base-Base interactions energy: -108.481
where: short stacking energy: -57.705
Base-Backbone interact. energy: 0.763
local terms energy: -74.366085
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -192.329328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.329328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.329328 (E_RNA)
where:
Base-Base interactions energy: -117.672
where: short stacking energy: -63.489
Base-Backbone interact. energy: -0.001
local terms energy: -74.656541
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -18.883
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: 9
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -96.737641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.737641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.737641 (E_RNA)
where:
Base-Base interactions energy: -38.715
where: short stacking energy: -38.715
Base-Backbone interact. energy: 0.521
local terms energy: -58.544414
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -7.013
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: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -95.792570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.792570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.792570 (E_RNA)
where:
Base-Base interactions energy: -42.304
where: short stacking energy: -33.776
Base-Backbone interact. energy: -0.180
local terms energy: -53.308565
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -113.491093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.491093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.491093 (E_RNA)
where:
Base-Base interactions energy: -55.830
where: short stacking energy: -38.192
Base-Backbone interact. energy: -1.092
local terms energy: -56.568880
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -7.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -87.662141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.662141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.662141 (E_RNA)
where:
Base-Base interactions energy: -28.171
where: short stacking energy: -24.032
Base-Backbone interact. energy: -0.639
local terms energy: -58.852017
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -6.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -91.078506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.078506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.078506 (E_RNA)
where:
Base-Base interactions energy: -48.445
where: short stacking energy: -21.582
Base-Backbone interact. energy: 0.509
local terms energy: -43.142094
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -72.673826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.673826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.673826 (E_RNA)
where:
Base-Base interactions energy: -23.987
where: short stacking energy: -15.619
Base-Backbone interact. energy: -0.230
local terms energy: -48.456348
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -1.159
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: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -79.524054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.524054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.524054 (E_RNA)
where:
Base-Base interactions energy: -25.286
where: short stacking energy: -25.286
Base-Backbone interact. energy: -0.054
local terms energy: -54.184424
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -10.093
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: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -222.856344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.856344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.856344 (E_RNA)
where:
Base-Base interactions energy: -150.249
where: short stacking energy: -65.789
Base-Backbone interact. energy: -0.313
local terms energy: -72.293863
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -184.611755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.611755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.611755 (E_RNA)
where:
Base-Base interactions energy: -113.367
where: short stacking energy: -54.027
Base-Backbone interact. energy: -0.167
local terms energy: -71.077504
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -13.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -200.175087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.175087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.175087 (E_RNA)
where:
Base-Base interactions energy: -135.838
where: short stacking energy: -64.255
Base-Backbone interact. energy: -0.526
local terms energy: -63.811147
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -8.311
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: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -122.835712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.835712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.835712 (E_RNA)
where:
Base-Base interactions energy: -62.436
where: short stacking energy: -45.995
Base-Backbone interact. energy: -0.021
local terms energy: -60.379412
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -11.369
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: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -112.037735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.037735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.037735 (E_RNA)
where:
Base-Base interactions energy: -44.229
where: short stacking energy: -38.231
Base-Backbone interact. energy: -0.266
local terms energy: -67.542441
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -9.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -100.608419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.608419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.608419 (E_RNA)
where:
Base-Base interactions energy: -49.159
where: short stacking energy: -44.270
Base-Backbone interact. energy: 1.258
local terms energy: -52.707726
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -125.884962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.884962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.884962 (E_RNA)
where:
Base-Base interactions energy: -71.530
where: short stacking energy: -44.270
Base-Backbone interact. energy: -0.175
local terms energy: -54.179727
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -79.439547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.439547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.439547 (E_RNA)
where:
Base-Base interactions energy: -29.470
where: short stacking energy: -29.470
Base-Backbone interact. energy: -0.163
local terms energy: -49.806019
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -94.995924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.995924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.995924 (E_RNA)
where:
Base-Base interactions energy: -42.034
where: short stacking energy: -31.898
Base-Backbone interact. energy: -0.505
local terms energy: -52.456539
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -8.190
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: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -78.990402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.990402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.990402 (E_RNA)
where:
Base-Base interactions energy: -34.528
where: short stacking energy: -31.498
Base-Backbone interact. energy: -0.057
local terms energy: -44.405948
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -7.790
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: -0.816
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: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -222.672425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.672425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.672425 (E_RNA)
where:
Base-Base interactions energy: -142.590
where: short stacking energy: -60.627
Base-Backbone interact. energy: -0.927
local terms energy: -79.156071
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -194.612147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.612147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.612147 (E_RNA)
where:
Base-Base interactions energy: -122.048
where: short stacking energy: -60.737
Base-Backbone interact. energy: -0.439
local terms energy: -72.125049
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -193.336301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.336301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.336301 (E_RNA)
where:
Base-Base interactions energy: -126.202
where: short stacking energy: -63.127
Base-Backbone interact. energy: -0.360
local terms energy: -66.774487
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -18.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -118.041427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.041427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.041427 (E_RNA)
where:
Base-Base interactions energy: -49.148
where: short stacking energy: -49.148
Base-Backbone interact. energy: 0.031
local terms energy: -68.923708
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -11.556
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: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -107.138667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.138667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.138667 (E_RNA)
where:
Base-Base interactions energy: -52.569
where: short stacking energy: -33.654
Base-Backbone interact. energy: -0.635
local terms energy: -53.933799
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -100.297530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.297530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.297530 (E_RNA)
where:
Base-Base interactions energy: -49.984
where: short stacking energy: -36.742
Base-Backbone interact. energy: -0.101
local terms energy: -50.213391
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -94.705168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.705168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.705168 (E_RNA)
where:
Base-Base interactions energy: -38.807
where: short stacking energy: -27.831
Base-Backbone interact. energy: -0.056
local terms energy: -55.841873
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -78.358960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.358960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.358960 (E_RNA)
where:
Base-Base interactions energy: -25.415
where: short stacking energy: -21.189
Base-Backbone interact. energy: -0.522
local terms energy: -52.422258
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: 4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -72.346356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.346356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.346356 (E_RNA)
where:
Base-Base interactions energy: -24.869
where: short stacking energy: -23.068
Base-Backbone interact. energy: -0.021
local terms energy: -47.455701
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -4.358
tors. eta vs tors. theta energy: -1.012
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: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -88.276978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.276978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.276978 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -33.801
Base-Backbone interact. energy: -0.287
local terms energy: -48.528454
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -7.119
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: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -227.547917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.547917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.547917 (E_RNA)
where:
Base-Base interactions energy: -149.681
where: short stacking energy: -67.291
Base-Backbone interact. energy: -0.011
local terms energy: -77.855117
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -197.012551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.012551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.012551 (E_RNA)
where:
Base-Base interactions energy: -128.340
where: short stacking energy: -58.550
Base-Backbone interact. energy: -0.039
local terms energy: -68.633982
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -17.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -189.412697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.412697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.412697 (E_RNA)
where:
Base-Base interactions energy: -118.222
where: short stacking energy: -54.704
Base-Backbone interact. energy: -0.096
local terms energy: -71.094166
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -118.354738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.354738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.354738 (E_RNA)
where:
Base-Base interactions energy: -64.355
where: short stacking energy: -28.527
Base-Backbone interact. energy: -0.403
local terms energy: -53.596787
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -133.240889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.240889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.240889 (E_RNA)
where:
Base-Base interactions energy: -72.640
where: short stacking energy: -38.063
Base-Backbone interact. energy: -0.174
local terms energy: -60.426558
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -8.709
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: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -97.782805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.782805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.782805 (E_RNA)
where:
Base-Base interactions energy: -38.418
where: short stacking energy: -35.517
Base-Backbone interact. energy: -0.314
local terms energy: -59.050498
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -7.880
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: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -89.221129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.221129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.221129 (E_RNA)
where:
Base-Base interactions energy: -37.879
where: short stacking energy: -34.318
Base-Backbone interact. energy: -0.014
local terms energy: -51.327881
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -7.577
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: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -77.199725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.199725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.199725 (E_RNA)
where:
Base-Base interactions energy: -32.063
where: short stacking energy: -17.954
Base-Backbone interact. energy: -0.730
local terms energy: -44.406775
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -5.369
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -79.999653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.999653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.999653 (E_RNA)
where:
Base-Base interactions energy: -31.244
where: short stacking energy: -23.283
Base-Backbone interact. energy: -0.224
local terms energy: -48.531472
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -81.948952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.948952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.948952 (E_RNA)
where:
Base-Base interactions energy: -29.236
where: short stacking energy: -29.236
Base-Backbone interact. energy: -0.095
local terms energy: -52.617146
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -227.823302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.823302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.823302 (E_RNA)
where:
Base-Base interactions energy: -151.313
where: short stacking energy: -68.124
Base-Backbone interact. energy: -0.469
local terms energy: -76.041278
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -209.721945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.721945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.721945 (E_RNA)
where:
Base-Base interactions energy: -129.265
where: short stacking energy: -65.195
Base-Backbone interact. energy: -0.974
local terms energy: -79.483087
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -18.506
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: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -185.696223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.696223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.696223 (E_RNA)
where:
Base-Base interactions energy: -111.097
where: short stacking energy: -51.731
Base-Backbone interact. energy: -0.001
local terms energy: -74.598426
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -14.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -121.238941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.238941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.238941 (E_RNA)
where:
Base-Base interactions energy: -67.866
where: short stacking energy: -42.348
Base-Backbone interact. energy: -0.157
local terms energy: -53.216363
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -7.415
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: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -98.863051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.863051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.863051 (E_RNA)
where:
Base-Base interactions energy: -45.733
where: short stacking energy: -40.571
Base-Backbone interact. energy: -0.095
local terms energy: -53.035228
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -138.448580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.448580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.448580 (E_RNA)
where:
Base-Base interactions energy: -72.136
where: short stacking energy: -40.215
Base-Backbone interact. energy: -0.718
local terms energy: -65.594664
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -100.432133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.432133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.432133 (E_RNA)
where:
Base-Base interactions energy: -38.274
where: short stacking energy: -35.471
Base-Backbone interact. energy: 1.825
local terms energy: -63.983181
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -8.678
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: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -92.655884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.655884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.655884 (E_RNA)
where:
Base-Base interactions energy: -39.100
where: short stacking energy: -37.496
Base-Backbone interact. energy: 1.637
local terms energy: -55.192796
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -8.080
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: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -81.265259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.265259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.265259 (E_RNA)
where:
Base-Base interactions energy: -29.506
where: short stacking energy: -24.722
Base-Backbone interact. energy: -0.471
local terms energy: -51.288139
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -9.552
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: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -75.783588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.783588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.783588 (E_RNA)
where:
Base-Base interactions energy: -35.480
where: short stacking energy: -19.907
Base-Backbone interact. energy: -0.516
local terms energy: -39.786979
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -0.196
tors. eta vs tors. theta energy: 1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -220.075621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.075621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.075621 (E_RNA)
where:
Base-Base interactions energy: -141.369
where: short stacking energy: -58.867
Base-Backbone interact. energy: -0.073
local terms energy: -78.634176
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -206.833950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.833950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.833950 (E_RNA)
where:
Base-Base interactions energy: -133.369
where: short stacking energy: -70.496
Base-Backbone interact. energy: -0.709
local terms energy: -72.755566
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -174.846297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.846297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.846297 (E_RNA)
where:
Base-Base interactions energy: -112.764
where: short stacking energy: -50.522
Base-Backbone interact. energy: 0.385
local terms energy: -62.466970
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -108.120130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.120130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.120130 (E_RNA)
where:
Base-Base interactions energy: -44.007
where: short stacking energy: -33.304
Base-Backbone interact. energy: -0.015
local terms energy: -64.097933
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -119.633580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.633580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.633580 (E_RNA)
where:
Base-Base interactions energy: -59.367
where: short stacking energy: -39.331
Base-Backbone interact. energy: 1.927
local terms energy: -62.193648
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -11.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -90.078145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.078145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.078145 (E_RNA)
where:
Base-Base interactions energy: -35.810
where: short stacking energy: -30.610
Base-Backbone interact. energy: -0.031
local terms energy: -54.236884
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -103.833319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.833319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.833319 (E_RNA)
where:
Base-Base interactions energy: -44.480
where: short stacking energy: -35.380
Base-Backbone interact. energy: -0.066
local terms energy: -59.287673
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -6.960
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -9.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -99.825721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.825721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.825721 (E_RNA)
where:
Base-Base interactions energy: -46.401
where: short stacking energy: -36.771
Base-Backbone interact. energy: 0.591
local terms energy: -54.015291
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -10.135
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: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -81.108764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.108764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.108764 (E_RNA)
where:
Base-Base interactions energy: -27.534
where: short stacking energy: -23.318
Base-Backbone interact. energy: -0.010
local terms energy: -53.563917
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -71.086798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.086798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.086798 (E_RNA)
where:
Base-Base interactions energy: -24.970
where: short stacking energy: -23.817
Base-Backbone interact. energy: -0.180
local terms energy: -45.937202
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: 0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -219.756977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.756977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.756977 (E_RNA)
where:
Base-Base interactions energy: -150.244
where: short stacking energy: -54.281
Base-Backbone interact. energy: -0.138
local terms energy: -69.375487
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -12.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -194.494463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.494463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.494463 (E_RNA)
where:
Base-Base interactions energy: -118.834
where: short stacking energy: -62.804
Base-Backbone interact. energy: -0.285
local terms energy: -75.375693
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -18.549
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: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -182.849813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.849813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.849813 (E_RNA)
where:
Base-Base interactions energy: -110.205
where: short stacking energy: -52.692
Base-Backbone interact. energy: -0.066
local terms energy: -72.579530
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -110.123601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.123601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.123601 (E_RNA)
where:
Base-Base interactions energy: -52.920
where: short stacking energy: -40.618
Base-Backbone interact. energy: -0.025
local terms energy: -57.178365
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -6.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -131.074338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.074338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.074338 (E_RNA)
where:
Base-Base interactions energy: -77.212
where: short stacking energy: -55.172
Base-Backbone interact. energy: -0.140
local terms energy: -53.721680
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -8.153
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: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -90.582562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.582562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.582562 (E_RNA)
where:
Base-Base interactions energy: -35.315
where: short stacking energy: -30.047
Base-Backbone interact. energy: -0.006
local terms energy: -55.262109
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -88.466984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.466984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.466984 (E_RNA)
where:
Base-Base interactions energy: -33.480
where: short stacking energy: -31.054
Base-Backbone interact. energy: -0.161
local terms energy: -54.825305
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -8.424
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: 8, replica: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -82.093603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.093603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.093603 (E_RNA)
where:
Base-Base interactions energy: -24.616
where: short stacking energy: -17.211
Base-Backbone interact. energy: -0.021
local terms energy: -57.455908
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -76.426539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.426539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.426539 (E_RNA)
where:
Base-Base interactions energy: -33.475
where: short stacking energy: -28.213
Base-Backbone interact. energy: -0.407
local terms energy: -42.544536
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: 0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -84.462199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.462199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.462199 (E_RNA)
where:
Base-Base interactions energy: -31.015
where: short stacking energy: -27.342
Base-Backbone interact. energy: -0.005
local terms energy: -53.441338
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -10.711
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: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -221.537695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.537695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.537695 (E_RNA)
where:
Base-Base interactions energy: -150.262
where: short stacking energy: -58.277
Base-Backbone interact. energy: -0.271
local terms energy: -71.004986
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -17.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -187.085401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.085401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.085401 (E_RNA)
where:
Base-Base interactions energy: -113.779
where: short stacking energy: -51.452
Base-Backbone interact. energy: -0.191
local terms energy: -73.114948
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -17.443
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: 17
Temperature: 1.000000
Total energy: -194.771508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.771508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.771508 (E_RNA)
where:
Base-Base interactions energy: -120.450
where: short stacking energy: -67.377
Base-Backbone interact. energy: -0.016
local terms energy: -74.305243
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -136.138216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.138216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.138216 (E_RNA)
where:
Base-Base interactions energy: -78.452
where: short stacking energy: -44.485
Base-Backbone interact. energy: 0.514
local terms energy: -58.199755
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -8.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -92.830174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.830174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.830174 (E_RNA)
where:
Base-Base interactions energy: -41.829
where: short stacking energy: -38.373
Base-Backbone interact. energy: -0.300
local terms energy: -50.700960
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -6.777
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: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -110.643127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.643127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.643127 (E_RNA)
where:
Base-Base interactions energy: -52.359
where: short stacking energy: -44.744
Base-Backbone interact. energy: -0.110
local terms energy: -58.174908
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -84.826426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.826426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.826426 (E_RNA)
where:
Base-Base interactions energy: -28.416
where: short stacking energy: -26.899
Base-Backbone interact. energy: -0.089
local terms energy: -56.321571
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -8.035
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: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -101.058785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.058785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.058785 (E_RNA)
where:
Base-Base interactions energy: -47.771
where: short stacking energy: -31.025
Base-Backbone interact. energy: -0.065
local terms energy: -53.222526
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -79.117769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.117769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.117769 (E_RNA)
where:
Base-Base interactions energy: -28.629
where: short stacking energy: -28.629
Base-Backbone interact. energy: -0.165
local terms energy: -50.323608
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -0.549
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -70.847810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.847810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.847810 (E_RNA)
where:
Base-Base interactions energy: -28.797
where: short stacking energy: -28.287
Base-Backbone interact. energy: -0.797
local terms energy: -41.253781
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -6.444
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: 1, replica: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -196.637905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.637905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.637905 (E_RNA)
where:
Base-Base interactions energy: -123.967
where: short stacking energy: -58.509
Base-Backbone interact. energy: -0.101
local terms energy: -72.569416
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -222.763517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.763517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.763517 (E_RNA)
where:
Base-Base interactions energy: -146.508
where: short stacking energy: -65.753
Base-Backbone interact. energy: -0.592
local terms energy: -75.663977
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -195.673185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.673185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.673185 (E_RNA)
where:
Base-Base interactions energy: -118.614
where: short stacking energy: -57.502
Base-Backbone interact. energy: -0.094
local terms energy: -76.964973
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -136.288285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.288285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.288285 (E_RNA)
where:
Base-Base interactions energy: -78.552
where: short stacking energy: -61.975
Base-Backbone interact. energy: -0.015
local terms energy: -57.721518
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -12.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -101.351509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.351509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.351509 (E_RNA)
where:
Base-Base interactions energy: -41.108
where: short stacking energy: -38.076
Base-Backbone interact. energy: -0.282
local terms energy: -59.962048
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -9.967
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: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -107.602580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.602580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.602580 (E_RNA)
where:
Base-Base interactions energy: -60.205
where: short stacking energy: -36.739
Base-Backbone interact. energy: -0.038
local terms energy: -47.359419
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -92.477852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.477852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.477852 (E_RNA)
where:
Base-Base interactions energy: -48.389
where: short stacking energy: -26.563
Base-Backbone interact. energy: -0.148
local terms energy: -43.940223
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -4.708
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: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -85.781249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.781249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.781249 (E_RNA)
where:
Base-Base interactions energy: -36.489
where: short stacking energy: -27.031
Base-Backbone interact. energy: -0.223
local terms energy: -49.069134
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -101.038818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.038818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.038818 (E_RNA)
where:
Base-Base interactions energy: -48.224
where: short stacking energy: -29.820
Base-Backbone interact. energy: -0.050
local terms energy: -52.765431
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -72.682870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.682870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.682870 (E_RNA)
where:
Base-Base interactions energy: -25.311
where: short stacking energy: -24.441
Base-Backbone interact. energy: -1.076
local terms energy: -46.295942
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -194.093240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.093240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.093240 (E_RNA)
where:
Base-Base interactions energy: -123.826
where: short stacking energy: -55.440
Base-Backbone interact. energy: -0.119
local terms energy: -70.147645
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -210.007223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.007223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.007223 (E_RNA)
where:
Base-Base interactions energy: -134.802
where: short stacking energy: -62.738
Base-Backbone interact. energy: -0.618
local terms energy: -74.588037
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -187.945223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.945223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.945223 (E_RNA)
where:
Base-Base interactions energy: -120.990
where: short stacking energy: -52.685
Base-Backbone interact. energy: -1.010
local terms energy: -65.945301
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -111.893043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.893043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.893043 (E_RNA)
where:
Base-Base interactions energy: -54.787
where: short stacking energy: -37.955
Base-Backbone interact. energy: -1.396
local terms energy: -55.710931
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -3.540
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: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -121.865782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.865782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.865782 (E_RNA)
where:
Base-Base interactions energy: -65.241
where: short stacking energy: -40.287
Base-Backbone interact. energy: -0.066
local terms energy: -56.558363
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -87.238202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.238202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.238202 (E_RNA)
where:
Base-Base interactions energy: -33.174
where: short stacking energy: -33.174
Base-Backbone interact. energy: -1.777
local terms energy: -52.286910
where:
bonds (distance) C4'-P energy: -7.304
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -96.128594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.128594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.128594 (E_RNA)
where:
Base-Base interactions energy: -44.266
where: short stacking energy: -33.053
Base-Backbone interact. energy: -0.183
local terms energy: -51.679543
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -95.774393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.774393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.774393 (E_RNA)
where:
Base-Base interactions energy: -50.315
where: short stacking energy: -19.193
Base-Backbone interact. energy: -0.116
local terms energy: -45.343305
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: 0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -92.146280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.146280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.146280 (E_RNA)
where:
Base-Base interactions energy: -37.933
where: short stacking energy: -29.798
Base-Backbone interact. energy: -0.210
local terms energy: -54.003300
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -10.076
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: 10, replica: 4
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -77.628810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.628810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.628810 (E_RNA)
where:
Base-Base interactions energy: -27.184
where: short stacking energy: -21.680
Base-Backbone interact. energy: -0.129
local terms energy: -50.315405
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: 1.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -215.875204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.875204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.875204 (E_RNA)
where:
Base-Base interactions energy: -143.115
where: short stacking energy: -67.626
Base-Backbone interact. energy: -0.493
local terms energy: -72.267336
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -189.081863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.081863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.081863 (E_RNA)
where:
Base-Base interactions energy: -123.497
where: short stacking energy: -56.366
Base-Backbone interact. energy: -0.100
local terms energy: -65.484109
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -14.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -187.246713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.246713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.246713 (E_RNA)
where:
Base-Base interactions energy: -119.617
where: short stacking energy: -57.229
Base-Backbone interact. energy: -0.109
local terms energy: -67.521447
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -17.995
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: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -103.474114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.474114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.474114 (E_RNA)
where:
Base-Base interactions energy: -45.200
where: short stacking energy: -39.399
Base-Backbone interact. energy: -0.028
local terms energy: -58.246070
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -148.210744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.210744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.210744 (E_RNA)
where:
Base-Base interactions energy: -90.590
where: short stacking energy: -44.893
Base-Backbone interact. energy: -0.408
local terms energy: -57.211947
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -9.089
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -107.267906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.267906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.267906 (E_RNA)
where:
Base-Base interactions energy: -42.982
where: short stacking energy: -34.126
Base-Backbone interact. energy: 0.601
local terms energy: -64.886663
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -11.608
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: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -87.392518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.392518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.392518 (E_RNA)
where:
Base-Base interactions energy: -33.950
where: short stacking energy: -21.545
Base-Backbone interact. energy: -0.110
local terms energy: -53.332509
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -5.590
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: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -83.698879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.698879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.698879 (E_RNA)
where:
Base-Base interactions energy: -32.126
where: short stacking energy: -28.558
Base-Backbone interact. energy: -0.127
local terms energy: -51.446082
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -91.755323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.755323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.755323 (E_RNA)
where:
Base-Base interactions energy: -33.051
where: short stacking energy: -33.051
Base-Backbone interact. energy: -0.160
local terms energy: -58.543971
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -84.512131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.512131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.512131 (E_RNA)
where:
Base-Base interactions energy: -36.024
where: short stacking energy: -17.041
Base-Backbone interact. energy: -0.549
local terms energy: -47.939592
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -4.896
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: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -219.262012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.262012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.262012 (E_RNA)
where:
Base-Base interactions energy: -148.861
where: short stacking energy: -61.228
Base-Backbone interact. energy: 0.093
local terms energy: -70.493744
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -212.512753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.512753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.512753 (E_RNA)
where:
Base-Base interactions energy: -143.249
where: short stacking energy: -65.932
Base-Backbone interact. energy: -0.179
local terms energy: -69.084791
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -18.566
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: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -188.519181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.519181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.519181 (E_RNA)
where:
Base-Base interactions energy: -117.715
where: short stacking energy: -50.133
Base-Backbone interact. energy: 0.403
local terms energy: -71.206885
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -12.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -161.370861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.370861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.370861 (E_RNA)
where:
Base-Base interactions energy: -98.817
where: short stacking energy: -46.402
Base-Backbone interact. energy: -0.157
local terms energy: -62.396536
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -7.188
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: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -91.762017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.762017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.762017 (E_RNA)
where:
Base-Base interactions energy: -35.080
where: short stacking energy: -35.080
Base-Backbone interact. energy: -0.138
local terms energy: -56.543935
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -6.770
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: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -112.847018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.847018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.847018 (E_RNA)
where:
Base-Base interactions energy: -50.337
where: short stacking energy: -50.337
Base-Backbone interact. energy: -0.096
local terms energy: -62.413935
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -7.942
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: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -105.759098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.759098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.759098 (E_RNA)
where:
Base-Base interactions energy: -39.942
where: short stacking energy: -39.942
Base-Backbone interact. energy: -0.018
local terms energy: -65.799683
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -12.205
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: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -93.041928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.041928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.041928 (E_RNA)
where:
Base-Base interactions energy: -42.675
where: short stacking energy: -28.455
Base-Backbone interact. energy: -0.117
local terms energy: -50.249940
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -90.633772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.633772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.633772 (E_RNA)
where:
Base-Base interactions energy: -51.792
where: short stacking energy: -30.330
Base-Backbone interact. energy: -0.228
local terms energy: -38.613611
where:
bonds (distance) C4'-P energy: -6.638
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -7.705
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -79.087489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.087489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.087489 (E_RNA)
where:
Base-Base interactions energy: -35.006
where: short stacking energy: -21.552
Base-Backbone interact. energy: -0.042
local terms energy: -44.039782
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -7.275
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: 0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -221.736857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.736857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.736857 (E_RNA)
where:
Base-Base interactions energy: -144.056
where: short stacking energy: -60.003
Base-Backbone interact. energy: 0.421
local terms energy: -78.102329
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -206.863589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.863589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.863589 (E_RNA)
where:
Base-Base interactions energy: -132.218
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.316
local terms energy: -74.329722
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -19.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -180.038937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.038937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.038937 (E_RNA)
where:
Base-Base interactions energy: -123.626
where: short stacking energy: -53.889
Base-Backbone interact. energy: -0.164
local terms energy: -56.249140
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -12.730
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: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -186.245241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.245241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.245241 (E_RNA)
where:
Base-Base interactions energy: -116.999
where: short stacking energy: -55.858
Base-Backbone interact. energy: -0.128
local terms energy: -69.118564
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -105.438788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.438788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.438788 (E_RNA)
where:
Base-Base interactions energy: -41.732
where: short stacking energy: -41.732
Base-Backbone interact. energy: -0.053
local terms energy: -63.654030
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -10.145
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: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -94.742349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.742349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.742349 (E_RNA)
where:
Base-Base interactions energy: -37.574
where: short stacking energy: -30.946
Base-Backbone interact. energy: -0.048
local terms energy: -57.120183
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -99.687049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.687049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.687049 (E_RNA)
where:
Base-Base interactions energy: -40.652
where: short stacking energy: -29.928
Base-Backbone interact. energy: -0.523
local terms energy: -58.511267
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -10.111
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: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -77.146203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.146203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.146203 (E_RNA)
where:
Base-Base interactions energy: -31.424
where: short stacking energy: -27.604
Base-Backbone interact. energy: -1.075
local terms energy: -44.646454
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -0.069
tors. eta vs tors. theta energy: 1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -88.715463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.715463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.715463 (E_RNA)
where:
Base-Base interactions energy: -41.250
where: short stacking energy: -38.189
Base-Backbone interact. energy: -0.510
local terms energy: -46.955331
where:
bonds (distance) C4'-P energy: -4.249
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -9.174
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: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -78.225852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.225852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.225852 (E_RNA)
where:
Base-Base interactions energy: -32.231
where: short stacking energy: -22.369
Base-Backbone interact. energy: -0.102
local terms energy: -45.892177
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -7.986
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -1.073
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: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -226.433335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.433335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.433335 (E_RNA)
where:
Base-Base interactions energy: -153.900
where: short stacking energy: -63.200
Base-Backbone interact. energy: 0.258
local terms energy: -72.791338
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -14.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -208.923225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.923225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.923225 (E_RNA)
where:
Base-Base interactions energy: -141.995
where: short stacking energy: -54.285
Base-Backbone interact. energy: -0.365
local terms energy: -66.562606
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -17.427
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: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -176.988101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.988101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.988101 (E_RNA)
where:
Base-Base interactions energy: -113.126
where: short stacking energy: -47.319
Base-Backbone interact. energy: -0.045
local terms energy: -63.817345
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -168.970431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.970431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.970431 (E_RNA)
where:
Base-Base interactions energy: -116.380
where: short stacking energy: -48.126
Base-Backbone interact. energy: 0.715
local terms energy: -53.305441
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -9.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -99.754520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.754520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.754520 (E_RNA)
where:
Base-Base interactions energy: -33.818
where: short stacking energy: -33.818
Base-Backbone interact. energy: -0.127
local terms energy: -65.809449
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -94.752138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.752138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.752138 (E_RNA)
where:
Base-Base interactions energy: -36.704
where: short stacking energy: -29.371
Base-Backbone interact. energy: -0.159
local terms energy: -57.889942
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -102.341894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.341894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.341894 (E_RNA)
where:
Base-Base interactions energy: -47.291
where: short stacking energy: -31.990
Base-Backbone interact. energy: 0.046
local terms energy: -55.095959
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -85.365220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.365220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.365220 (E_RNA)
where:
Base-Base interactions energy: -25.102
where: short stacking energy: -25.102
Base-Backbone interact. energy: -0.094
local terms energy: -60.169067
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -6.271
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: 23
Temperature: 1.300000
Total energy: -94.152131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.152131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.152131 (E_RNA)
where:
Base-Base interactions energy: -39.301
where: short stacking energy: -25.149
Base-Backbone interact. energy: 0.490
local terms energy: -55.340864
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -7.901
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: 10, replica: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -78.105425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.105425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.105425 (E_RNA)
where:
Base-Base interactions energy: -32.694
where: short stacking energy: -21.649
Base-Backbone interact. energy: -0.268
local terms energy: -45.142575
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: 1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -219.276191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.276191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.276191 (E_RNA)
where:
Base-Base interactions energy: -142.348
where: short stacking energy: -63.618
Base-Backbone interact. energy: -0.123
local terms energy: -76.805141
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -17.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -219.453420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.453420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.453420 (E_RNA)
where:
Base-Base interactions energy: -143.871
where: short stacking energy: -63.517
Base-Backbone interact. energy: 0.952
local terms energy: -76.534014
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -18.891
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: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -188.804838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.804838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.804838 (E_RNA)
where:
Base-Base interactions energy: -118.958
where: short stacking energy: -54.590
Base-Backbone interact. energy: -0.377
local terms energy: -69.469895
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -164.606654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.606654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.606654 (E_RNA)
where:
Base-Base interactions energy: -102.408
where: short stacking energy: -46.352
Base-Backbone interact. energy: -0.200
local terms energy: -61.998374
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -94.528198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.528198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.528198 (E_RNA)
where:
Base-Base interactions energy: -37.921
where: short stacking energy: -26.138
Base-Backbone interact. energy: -1.019
local terms energy: -55.588715
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -94.202860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.202860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.202860 (E_RNA)
where:
Base-Base interactions energy: -39.000
where: short stacking energy: -29.432
Base-Backbone interact. energy: -0.152
local terms energy: -55.050978
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -96.016970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.016970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.016970 (E_RNA)
where:
Base-Base interactions energy: -39.630
where: short stacking energy: -35.979
Base-Backbone interact. energy: 0.186
local terms energy: -56.573370
where:
bonds (distance) C4'-P energy: -6.465
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -85.108137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.108137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.108137 (E_RNA)
where:
Base-Base interactions energy: -40.221
where: short stacking energy: -27.417
Base-Backbone interact. energy: -0.220
local terms energy: -44.667444
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -8.598
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -75.225681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.225681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.225681 (E_RNA)
where:
Base-Base interactions energy: -31.146
where: short stacking energy: -21.233
Base-Backbone interact. energy: -0.262
local terms energy: -43.818394
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: 3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -73.490187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.490187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.490187 (E_RNA)
where:
Base-Base interactions energy: -18.044
where: short stacking energy: -17.621
Base-Backbone interact. energy: -0.152
local terms energy: -55.293712
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -225.883460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.883460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.883460 (E_RNA)
where:
Base-Base interactions energy: -147.489
where: short stacking energy: -71.112
Base-Backbone interact. energy: -1.109
local terms energy: -77.286237
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -186.727034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.727034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.727034 (E_RNA)
where:
Base-Base interactions energy: -115.819
where: short stacking energy: -49.712
Base-Backbone interact. energy: -0.073
local terms energy: -70.835101
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -12.409
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: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -208.063167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.063167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.063167 (E_RNA)
where:
Base-Base interactions energy: -138.950
where: short stacking energy: -55.475
Base-Backbone interact. energy: -0.202
local terms energy: -68.910475
where:
bonds (distance) C4'-P energy: -7.712
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -172.116913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.116913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.116913 (E_RNA)
where:
Base-Base interactions energy: -103.322
where: short stacking energy: -51.007
Base-Backbone interact. energy: -0.097
local terms energy: -68.697447
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -130.558226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.558226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.558226 (E_RNA)
where:
Base-Base interactions energy: -77.487
where: short stacking energy: -40.524
Base-Backbone interact. energy: 2.726
local terms energy: -55.797274
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -97.626286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.626286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.626286 (E_RNA)
where:
Base-Base interactions energy: -46.660
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.872
local terms energy: -50.095076
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -97.626869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.626869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.626869 (E_RNA)
where:
Base-Base interactions energy: -40.549
where: short stacking energy: -29.141
Base-Backbone interact. energy: -0.032
local terms energy: -57.045395
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -8.129
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: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -85.888624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.888624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.888624 (E_RNA)
where:
Base-Base interactions energy: -40.533
where: short stacking energy: -24.646
Base-Backbone interact. energy: -0.517
local terms energy: -44.839369
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -69.447407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.447407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.447407 (E_RNA)
where:
Base-Base interactions energy: -27.166
where: short stacking energy: -26.327
Base-Backbone interact. energy: -0.029
local terms energy: -42.252204
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -73.759788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.759788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.759788 (E_RNA)
where:
Base-Base interactions energy: -36.256
where: short stacking energy: -26.808
Base-Backbone interact. energy: -0.619
local terms energy: -36.884801
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -9.199
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -9.881
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: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -217.262078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.262078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.262078 (E_RNA)
where:
Base-Base interactions energy: -146.831
where: short stacking energy: -60.668
Base-Backbone interact. energy: -0.568
local terms energy: -69.863291
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -18.690
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: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -185.773184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.773184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.773184 (E_RNA)
where:
Base-Base interactions energy: -108.401
where: short stacking energy: -53.789
Base-Backbone interact. energy: -0.173
local terms energy: -77.198833
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -216.791047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.791047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.791047 (E_RNA)
where:
Base-Base interactions energy: -142.075
where: short stacking energy: -53.988
Base-Backbone interact. energy: 0.358
local terms energy: -75.073672
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -180.872564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.872564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.872564 (E_RNA)
where:
Base-Base interactions energy: -113.754
where: short stacking energy: -45.096
Base-Backbone interact. energy: -0.144
local terms energy: -66.974861
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -12.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -116.701974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.701974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.701974 (E_RNA)
where:
Base-Base interactions energy: -51.839
where: short stacking energy: -51.839
Base-Backbone interact. energy: -0.185
local terms energy: -64.677973
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -13.665
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: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -99.631134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.631134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.631134 (E_RNA)
where:
Base-Base interactions energy: -42.299
where: short stacking energy: -37.944
Base-Backbone interact. energy: 0.282
local terms energy: -57.613756
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -110.264784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.264784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.264784 (E_RNA)
where:
Base-Base interactions energy: -46.031
where: short stacking energy: -43.115
Base-Backbone interact. energy: 0.324
local terms energy: -64.557274
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -99.032730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.032730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.032730 (E_RNA)
where:
Base-Base interactions energy: -49.106
where: short stacking energy: -31.741
Base-Backbone interact. energy: -0.066
local terms energy: -49.860438
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -7.367
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: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -96.574078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.574078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.574078 (E_RNA)
where:
Base-Base interactions energy: -36.309
where: short stacking energy: -36.309
Base-Backbone interact. energy: -0.113
local terms energy: -60.151656
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -70.184254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.184254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.184254 (E_RNA)
where:
Base-Base interactions energy: -24.568
where: short stacking energy: -23.747
Base-Backbone interact. energy: -0.276
local terms energy: -45.340120
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -7.038
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: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -229.643399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.643399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.643399 (E_RNA)
where:
Base-Base interactions energy: -159.775
where: short stacking energy: -63.101
Base-Backbone interact. energy: -0.051
local terms energy: -69.816590
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -20.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -214.885304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.885304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.885304 (E_RNA)
where:
Base-Base interactions energy: -144.961
where: short stacking energy: -64.611
Base-Backbone interact. energy: -1.591
local terms energy: -68.332963
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -192.290090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.290090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.290090 (E_RNA)
where:
Base-Base interactions energy: -119.575
where: short stacking energy: -51.620
Base-Backbone interact. energy: -0.446
local terms energy: -72.269267
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -168.649591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.649591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.649591 (E_RNA)
where:
Base-Base interactions energy: -102.194
where: short stacking energy: -54.880
Base-Backbone interact. energy: -0.018
local terms energy: -66.437727
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -104.887565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.887565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.887565 (E_RNA)
where:
Base-Base interactions energy: -45.606
where: short stacking energy: -37.464
Base-Backbone interact. energy: -0.307
local terms energy: -58.975020
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -11.222
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: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -99.903829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.903829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.903829 (E_RNA)
where:
Base-Base interactions energy: -46.140
where: short stacking energy: -33.702
Base-Backbone interact. energy: -0.614
local terms energy: -53.149324
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -115.886848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886848 (E_RNA)
where:
Base-Base interactions energy: -60.710
where: short stacking energy: -37.300
Base-Backbone interact. energy: -0.401
local terms energy: -54.775470
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -81.863023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.863023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.863023 (E_RNA)
where:
Base-Base interactions energy: -36.211
where: short stacking energy: -22.658
Base-Backbone interact. energy: 0.181
local terms energy: -45.833081
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -4.536
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: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -80.966768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.966768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.966768 (E_RNA)
where:
Base-Base interactions energy: -31.610
where: short stacking energy: -28.960
Base-Backbone interact. energy: -0.079
local terms energy: -49.277774
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -85.312497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.312497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.312497 (E_RNA)
where:
Base-Base interactions energy: -32.818
where: short stacking energy: -21.411
Base-Backbone interact. energy: -0.027
local terms energy: -52.466965
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -221.150554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.150554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.150554 (E_RNA)
where:
Base-Base interactions energy: -152.870
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.003
local terms energy: -68.277347
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -17.173
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: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -219.304426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.304426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.304426 (E_RNA)
where:
Base-Base interactions energy: -151.995
where: short stacking energy: -65.347
Base-Backbone interact. energy: -0.694
local terms energy: -66.615337
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -172.014732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.014732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.014732 (E_RNA)
where:
Base-Base interactions energy: -109.361
where: short stacking energy: -50.401
Base-Backbone interact. energy: -0.011
local terms energy: -62.642755
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -13.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -156.317080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.317080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.317080 (E_RNA)
where:
Base-Base interactions energy: -91.303
where: short stacking energy: -47.305
Base-Backbone interact. energy: 0.055
local terms energy: -65.068889
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -11.667
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: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -101.967534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.967534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.967534 (E_RNA)
where:
Base-Base interactions energy: -45.381
where: short stacking energy: -40.321
Base-Backbone interact. energy: -0.157
local terms energy: -56.429952
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -104.062385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.062385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.062385 (E_RNA)
where:
Base-Base interactions energy: -52.555
where: short stacking energy: -48.173
Base-Backbone interact. energy: -0.624
local terms energy: -50.883122
where:
bonds (distance) C4'-P energy: -5.811
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -8.864
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: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -95.752443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.752443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.752443 (E_RNA)
where:
Base-Base interactions energy: -42.411
where: short stacking energy: -42.084
Base-Backbone interact. energy: -0.149
local terms energy: -53.191888
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -116.939503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.939503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.939503 (E_RNA)
where:
Base-Base interactions energy: -68.290
where: short stacking energy: -18.633
Base-Backbone interact. energy: -0.502
local terms energy: -48.147492
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: 4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -84.778137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.778137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.778137 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -30.755
Base-Backbone interact. energy: -0.455
local terms energy: -49.770893
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -79.217470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.217470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.217470 (E_RNA)
where:
Base-Base interactions energy: -30.323
where: short stacking energy: -27.721
Base-Backbone interact. energy: -0.285
local terms energy: -48.609047
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -221.127214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.127214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.127214 (E_RNA)
where:
Base-Base interactions energy: -154.214
where: short stacking energy: -51.512
Base-Backbone interact. energy: 0.172
local terms energy: -67.085033
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -175.958344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.958344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.958344 (E_RNA)
where:
Base-Base interactions energy: -107.380
where: short stacking energy: -44.959
Base-Backbone interact. energy: 2.408
local terms energy: -70.986841
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -13.357
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: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -208.769687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.769687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.769687 (E_RNA)
where:
Base-Base interactions energy: -148.017
where: short stacking energy: -50.319
Base-Backbone interact. energy: -0.488
local terms energy: -60.265080
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -179.017327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.017327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.017327 (E_RNA)
where:
Base-Base interactions energy: -104.888
where: short stacking energy: -56.990
Base-Backbone interact. energy: -0.000
local terms energy: -74.129280
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -16.878
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: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -104.500364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.500364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.500364 (E_RNA)
where:
Base-Base interactions energy: -47.477
where: short stacking energy: -43.480
Base-Backbone interact. energy: -0.003
local terms energy: -57.020382
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -9.024
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: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -87.078858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.078858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.078858 (E_RNA)
where:
Base-Base interactions energy: -36.628
where: short stacking energy: -23.258
Base-Backbone interact. energy: -0.222
local terms energy: -50.228813
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -96.266318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.266318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.266318 (E_RNA)
where:
Base-Base interactions energy: -48.919
where: short stacking energy: -30.559
Base-Backbone interact. energy: 2.123
local terms energy: -49.470312
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -8.667
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: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -92.202410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.202410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.202410 (E_RNA)
where:
Base-Base interactions energy: -43.706
where: short stacking energy: -26.772
Base-Backbone interact. energy: -0.387
local terms energy: -48.109514
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: 0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -77.288036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.288036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.288036 (E_RNA)
where:
Base-Base interactions energy: -30.300
where: short stacking energy: -30.232
Base-Backbone interact. energy: -0.108
local terms energy: -46.879707
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -2.473
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -77.191530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.191530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.191530 (E_RNA)
where:
Base-Base interactions energy: -28.097
where: short stacking energy: -25.817
Base-Backbone interact. energy: 0.675
local terms energy: -49.769156
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -7.409
flat angles P-C4'-P energy: -9.149
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: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -231.070416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.070416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.070416 (E_RNA)
where:
Base-Base interactions energy: -155.376
where: short stacking energy: -60.195
Base-Backbone interact. energy: -0.577
local terms energy: -75.117014
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -204.131643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.131643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.131643 (E_RNA)
where:
Base-Base interactions energy: -134.974
where: short stacking energy: -51.942
Base-Backbone interact. energy: -0.589
local terms energy: -68.569204
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -14.224
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: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -207.197498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.197498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.197498 (E_RNA)
where:
Base-Base interactions energy: -139.104
where: short stacking energy: -52.943
Base-Backbone interact. energy: -0.082
local terms energy: -68.011977
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -199.466618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.466618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.466618 (E_RNA)
where:
Base-Base interactions energy: -129.823
where: short stacking energy: -67.981
Base-Backbone interact. energy: 0.663
local terms energy: -70.306897
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -103.537674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.537674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.537674 (E_RNA)
where:
Base-Base interactions energy: -51.377
where: short stacking energy: -36.821
Base-Backbone interact. energy: -0.016
local terms energy: -52.144134
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -100.798858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.798858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.798858 (E_RNA)
where:
Base-Base interactions energy: -39.145
where: short stacking energy: -34.957
Base-Backbone interact. energy: -0.007
local terms energy: -61.647064
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -7.207
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: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -96.236857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.236857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.236857 (E_RNA)
where:
Base-Base interactions energy: -49.822
where: short stacking energy: -25.959
Base-Backbone interact. energy: 0.126
local terms energy: -46.540947
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -6.093
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: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -91.992378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.992378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.992378 (E_RNA)
where:
Base-Base interactions energy: -37.762
where: short stacking energy: -30.812
Base-Backbone interact. energy: -0.063
local terms energy: -54.167361
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -83.497096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.497096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.497096 (E_RNA)
where:
Base-Base interactions energy: -28.415
where: short stacking energy: -28.297
Base-Backbone interact. energy: -0.070
local terms energy: -55.012362
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -72.328914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.328914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.328914 (E_RNA)
where:
Base-Base interactions energy: -27.516
where: short stacking energy: -27.516
Base-Backbone interact. energy: 0.573
local terms energy: -45.386197
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -8.680
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -237.008673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.008673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.008673 (E_RNA)
where:
Base-Base interactions energy: -165.255
where: short stacking energy: -65.991
Base-Backbone interact. energy: -0.010
local terms energy: -71.742908
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -202.535311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.535311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.535311 (E_RNA)
where:
Base-Base interactions energy: -130.274
where: short stacking energy: -53.572
Base-Backbone interact. energy: -0.071
local terms energy: -72.190282
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -17.989
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: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -183.594829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.594829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.594829 (E_RNA)
where:
Base-Base interactions energy: -115.467
where: short stacking energy: -46.085
Base-Backbone interact. energy: -0.146
local terms energy: -67.981537
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -180.767469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.767469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.767469 (E_RNA)
where:
Base-Base interactions energy: -118.449
where: short stacking energy: -59.578
Base-Backbone interact. energy: 1.935
local terms energy: -64.253743
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -13.823
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: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -121.726020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.726020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.726020 (E_RNA)
where:
Base-Base interactions energy: -59.104
where: short stacking energy: -37.262
Base-Backbone interact. energy: 0.198
local terms energy: -62.819807
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -93.733875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.733875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.733875 (E_RNA)
where:
Base-Base interactions energy: -37.826
where: short stacking energy: -31.246
Base-Backbone interact. energy: -0.073
local terms energy: -55.834251
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -95.829900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.829900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.829900 (E_RNA)
where:
Base-Base interactions energy: -33.180
where: short stacking energy: -33.180
Base-Backbone interact. energy: -0.001
local terms energy: -62.649646
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -9.038
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: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -87.279547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.279547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.279547 (E_RNA)
where:
Base-Base interactions energy: -36.965
where: short stacking energy: -17.974
Base-Backbone interact. energy: -0.185
local terms energy: -50.129430
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -83.194250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.194250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.194250 (E_RNA)
where:
Base-Base interactions energy: -29.525
where: short stacking energy: -29.525
Base-Backbone interact. energy: -0.172
local terms energy: -53.497522
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -11.127
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: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -83.788617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.788617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.788617 (E_RNA)
where:
Base-Base interactions energy: -36.951
where: short stacking energy: -30.245
Base-Backbone interact. energy: -0.272
local terms energy: -46.565203
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -224.214382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.214382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.214382 (E_RNA)
where:
Base-Base interactions energy: -145.358
where: short stacking energy: -73.245
Base-Backbone interact. energy: -0.085
local terms energy: -78.770565
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -22.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -221.562818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.562818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.562818 (E_RNA)
where:
Base-Base interactions energy: -158.771
where: short stacking energy: -53.492
Base-Backbone interact. energy: -0.638
local terms energy: -62.153749
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -6.361
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: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -174.446943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.446943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.446943 (E_RNA)
where:
Base-Base interactions energy: -114.531
where: short stacking energy: -45.520
Base-Backbone interact. energy: 0.659
local terms energy: -60.574284
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -9.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -173.846673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.846673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.846673 (E_RNA)
where:
Base-Base interactions energy: -103.342
where: short stacking energy: -56.175
Base-Backbone interact. energy: -0.616
local terms energy: -69.888709
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -108.781744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.781744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.781744 (E_RNA)
where:
Base-Base interactions energy: -51.261
where: short stacking energy: -35.784
Base-Backbone interact. energy: -0.223
local terms energy: -57.297199
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -105.905116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.905116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.905116 (E_RNA)
where:
Base-Base interactions energy: -40.881
where: short stacking energy: -38.089
Base-Backbone interact. energy: -0.086
local terms energy: -64.938605
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -88.896097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.896097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.896097 (E_RNA)
where:
Base-Base interactions energy: -35.781
where: short stacking energy: -29.076
Base-Backbone interact. energy: -0.037
local terms energy: -53.077766
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -4.636
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: 8, replica: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -82.913647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.913647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.913647 (E_RNA)
where:
Base-Base interactions energy: -33.937
where: short stacking energy: -22.058
Base-Backbone interact. energy: -0.308
local terms energy: -48.669289
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -79.476330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.476330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.476330 (E_RNA)
where:
Base-Base interactions energy: -36.917
where: short stacking energy: -22.710
Base-Backbone interact. energy: 1.218
local terms energy: -43.777315
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -86.889624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.889624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.889624 (E_RNA)
where:
Base-Base interactions energy: -38.230
where: short stacking energy: -25.399
Base-Backbone interact. energy: 0.494
local terms energy: -49.153601
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -221.087851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.087851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.087851 (E_RNA)
where:
Base-Base interactions energy: -147.198
where: short stacking energy: -69.493
Base-Backbone interact. energy: -0.670
local terms energy: -73.219676
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -218.574068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.574068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.574068 (E_RNA)
where:
Base-Base interactions energy: -146.589
where: short stacking energy: -57.834
Base-Backbone interact. energy: -0.000
local terms energy: -71.985091
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -159.463052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.463052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.463052 (E_RNA)
where:
Base-Base interactions energy: -94.501
where: short stacking energy: -47.043
Base-Backbone interact. energy: -0.707
local terms energy: -64.254430
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -10.307
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: 4, replica: 6
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -188.391642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.391642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.391642 (E_RNA)
where:
Base-Base interactions energy: -117.811
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.044
local terms energy: -70.536933
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -103.241316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.241316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.241316 (E_RNA)
where:
Base-Base interactions energy: -44.085
where: short stacking energy: -33.185
Base-Backbone interact. energy: -0.053
local terms energy: -59.103576
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -8.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -104.582033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.582033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.582033 (E_RNA)
where:
Base-Base interactions energy: -54.433
where: short stacking energy: -39.678
Base-Backbone interact. energy: -0.002
local terms energy: -50.146630
where:
bonds (distance) C4'-P energy: -7.962
bonds (distance) P-C4' energy: -8.840
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.550
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: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -85.319050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.319050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.319050 (E_RNA)
where:
Base-Base interactions energy: -32.737
where: short stacking energy: -31.350
Base-Backbone interact. energy: -0.101
local terms energy: -52.481527
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -1.785
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -89.484864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.484864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.484864 (E_RNA)
where:
Base-Base interactions energy: -33.885
where: short stacking energy: -23.397
Base-Backbone interact. energy: -1.521
local terms energy: -54.078397
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -8.023
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: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -94.044458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.044458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.044458 (E_RNA)
where:
Base-Base interactions energy: -36.874
where: short stacking energy: -36.874
Base-Backbone interact. energy: -0.159
local terms energy: -57.011627
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -8.463
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: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -71.027445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.027445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.027445 (E_RNA)
where:
Base-Base interactions energy: -19.594
where: short stacking energy: -19.198
Base-Backbone interact. energy: -0.481
local terms energy: -50.952769
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -0.079
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: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -229.487625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.487625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.487625 (E_RNA)
where:
Base-Base interactions energy: -151.525
where: short stacking energy: -60.730
Base-Backbone interact. energy: -0.012
local terms energy: -77.950889
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -19.354
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: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -228.606651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.606651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.606651 (E_RNA)
where:
Base-Base interactions energy: -151.464
where: short stacking energy: -68.164
Base-Backbone interact. energy: 0.177
local terms energy: -77.320204
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -194.018737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.018737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.018737 (E_RNA)
where:
Base-Base interactions energy: -119.215
where: short stacking energy: -52.844
Base-Backbone interact. energy: -0.158
local terms energy: -74.646473
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -18.606
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: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -170.969636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.969636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.969636 (E_RNA)
where:
Base-Base interactions energy: -102.052
where: short stacking energy: -49.498
Base-Backbone interact. energy: -0.090
local terms energy: -68.828082
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -10.513
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: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -99.982773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.982773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.982773 (E_RNA)
where:
Base-Base interactions energy: -45.785
where: short stacking energy: -27.641
Base-Backbone interact. energy: -0.168
local terms energy: -54.029806
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -91.421557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.421557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.421557 (E_RNA)
where:
Base-Base interactions energy: -38.745
where: short stacking energy: -31.864
Base-Backbone interact. energy: -0.073
local terms energy: -52.603947
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -8.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -94.531423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.531423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.531423 (E_RNA)
where:
Base-Base interactions energy: -40.120
where: short stacking energy: -34.258
Base-Backbone interact. energy: -0.291
local terms energy: -54.120564
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -82.081263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.081263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.081263 (E_RNA)
where:
Base-Base interactions energy: -32.612
where: short stacking energy: -31.015
Base-Backbone interact. energy: 2.083
local terms energy: -51.552249
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: 0.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -84.678274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.678274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.678274 (E_RNA)
where:
Base-Base interactions energy: -34.385
where: short stacking energy: -25.264
Base-Backbone interact. energy: -0.230
local terms energy: -50.063150
where:
bonds (distance) C4'-P energy: -7.963
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -75.349867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.349867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.349867 (E_RNA)
where:
Base-Base interactions energy: -27.212
where: short stacking energy: -25.352
Base-Backbone interact. energy: -0.150
local terms energy: -47.987745
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: 0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -229.113832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.113832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.113832 (E_RNA)
where:
Base-Base interactions energy: -155.864
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.047
local terms energy: -73.203326
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -225.470539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.470539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.470539 (E_RNA)
where:
Base-Base interactions energy: -147.429
where: short stacking energy: -64.323
Base-Backbone interact. energy: -0.050
local terms energy: -77.991562
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -182.394736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.394736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.394736 (E_RNA)
where:
Base-Base interactions energy: -116.461
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.267
local terms energy: -65.666428
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -166.585723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.585723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.585723 (E_RNA)
where:
Base-Base interactions energy: -103.891
where: short stacking energy: -44.196
Base-Backbone interact. energy: 0.393
local terms energy: -63.087062
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -9.686
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: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -103.589503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.589503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.589503 (E_RNA)
where:
Base-Base interactions energy: -51.287
where: short stacking energy: -35.690
Base-Backbone interact. energy: -0.219
local terms energy: -52.083863
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -7.717
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: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -90.430256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.430256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.430256 (E_RNA)
where:
Base-Base interactions energy: -48.426
where: short stacking energy: -30.322
Base-Backbone interact. energy: -0.109
local terms energy: -41.896004
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -89.996736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.996736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.996736 (E_RNA)
where:
Base-Base interactions energy: -38.798
where: short stacking energy: -15.041
Base-Backbone interact. energy: -0.341
local terms energy: -50.858291
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -99.159724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.159724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.159724 (E_RNA)
where:
Base-Base interactions energy: -48.004
where: short stacking energy: -29.539
Base-Backbone interact. energy: -0.066
local terms energy: -51.090177
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -4.424
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: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -73.594158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.594158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.594158 (E_RNA)
where:
Base-Base interactions energy: -32.846
where: short stacking energy: -24.240
Base-Backbone interact. energy: -0.324
local terms energy: -40.423516
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -7.715
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: 1.985
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: 10, replica: 5
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -71.778075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.778075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.778075 (E_RNA)
where:
Base-Base interactions energy: -28.052
where: short stacking energy: -28.052
Base-Backbone interact. energy: -0.170
local terms energy: -43.556061
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: 1.319
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: 36
Temperature: 0.900000
Total energy: -225.614320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.614320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.614320 (E_RNA)
where:
Base-Base interactions energy: -151.764
where: short stacking energy: -63.749
Base-Backbone interact. energy: -0.084
local terms energy: -73.765455
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -224.349538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.349538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.349538 (E_RNA)
where:
Base-Base interactions energy: -152.389
where: short stacking energy: -72.060
Base-Backbone interact. energy: -0.043
local terms energy: -71.916985
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -22.160
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: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -182.339714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.339714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.339714 (E_RNA)
where:
Base-Base interactions energy: -116.644
where: short stacking energy: -55.884
Base-Backbone interact. energy: -0.166
local terms energy: -65.530563
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -171.166434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.166434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.166434 (E_RNA)
where:
Base-Base interactions energy: -110.198
where: short stacking energy: -49.963
Base-Backbone interact. energy: -0.342
local terms energy: -60.627235
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -98.768489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.768489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.768489 (E_RNA)
where:
Base-Base interactions energy: -37.098
where: short stacking energy: -37.035
Base-Backbone interact. energy: -0.018
local terms energy: -61.652514
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -91.537953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.537953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.537953 (E_RNA)
where:
Base-Base interactions energy: -26.686
where: short stacking energy: -23.019
Base-Backbone interact. energy: -0.089
local terms energy: -64.762466
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -7.132
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: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -86.847362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.847362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.847362 (E_RNA)
where:
Base-Base interactions energy: -35.307
where: short stacking energy: -28.339
Base-Backbone interact. energy: -0.956
local terms energy: -50.584470
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -2.018
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: 36
Temperature: 1.250000
Total energy: -87.809092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.809092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.809092 (E_RNA)
where:
Base-Base interactions energy: -38.033
where: short stacking energy: -38.033
Base-Backbone interact. energy: -0.506
local terms energy: -49.270145
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -12.817
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: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -77.320499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.320499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.320499 (E_RNA)
where:
Base-Base interactions energy: -23.332
where: short stacking energy: -23.332
Base-Backbone interact. energy: -0.057
local terms energy: -53.932171
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -71.144815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.144815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.144815 (E_RNA)
where:
Base-Base interactions energy: -20.619
where: short stacking energy: -20.619
Base-Backbone interact. energy: -0.113
local terms energy: -50.412804
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -227.799907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.799907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.799907 (E_RNA)
where:
Base-Base interactions energy: -156.023
where: short stacking energy: -68.212
Base-Backbone interact. energy: 1.585
local terms energy: -73.362070
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -189.113553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.113553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.113553 (E_RNA)
where:
Base-Base interactions energy: -124.050
where: short stacking energy: -59.854
Base-Backbone interact. energy: 0.069
local terms energy: -65.132259
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -221.407215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.407215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.407215 (E_RNA)
where:
Base-Base interactions energy: -139.856
where: short stacking energy: -65.806
Base-Backbone interact. energy: -0.246
local terms energy: -81.305101
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -24.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -181.947822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.947822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.947822 (E_RNA)
where:
Base-Base interactions energy: -114.300
where: short stacking energy: -48.558
Base-Backbone interact. energy: -0.281
local terms energy: -67.366756
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -103.354512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.354512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.354512 (E_RNA)
where:
Base-Base interactions energy: -43.070
where: short stacking energy: -38.945
Base-Backbone interact. energy: -0.112
local terms energy: -60.172225
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -100.438371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.438371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.438371 (E_RNA)
where:
Base-Base interactions energy: -48.077
where: short stacking energy: -32.308
Base-Backbone interact. energy: -0.167
local terms energy: -52.194567
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -90.765688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.765688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.765688 (E_RNA)
where:
Base-Base interactions energy: -32.778
where: short stacking energy: -24.928
Base-Backbone interact. energy: -0.145
local terms energy: -57.843086
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -10.588
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: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -98.146817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.146817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.146817 (E_RNA)
where:
Base-Base interactions energy: -35.113
where: short stacking energy: -32.845
Base-Backbone interact. energy: -0.018
local terms energy: -63.015692
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -9.681
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: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -88.034480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.034480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.034480 (E_RNA)
where:
Base-Base interactions energy: -42.830
where: short stacking energy: -17.208
Base-Backbone interact. energy: -0.276
local terms energy: -44.928722
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -10.558
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -4.420
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: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -71.322074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.322074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.322074 (E_RNA)
where:
Base-Base interactions energy: -31.449
where: short stacking energy: -30.775
Base-Backbone interact. energy: -0.230
local terms energy: -39.642792
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: 1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -222.163694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.163694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.163694 (E_RNA)
where:
Base-Base interactions energy: -156.363
where: short stacking energy: -63.208
Base-Backbone interact. energy: 1.785
local terms energy: -67.585329
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -8.518
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -179.822072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.822072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.822072 (E_RNA)
where:
Base-Base interactions energy: -117.127
where: short stacking energy: -57.353
Base-Backbone interact. energy: -0.024
local terms energy: -62.670573
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -211.703486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.703486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.703486 (E_RNA)
where:
Base-Base interactions energy: -135.171
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.001
local terms energy: -76.531010
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -19.077
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: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -182.052087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.052087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.052087 (E_RNA)
where:
Base-Base interactions energy: -114.060
where: short stacking energy: -52.302
Base-Backbone interact. energy: -0.625
local terms energy: -67.367015
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -109.702486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.702486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.702486 (E_RNA)
where:
Base-Base interactions energy: -50.831
where: short stacking energy: -44.410
Base-Backbone interact. energy: -0.195
local terms energy: -58.676181
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -9.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -121.331732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.331732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.331732 (E_RNA)
where:
Base-Base interactions energy: -63.085
where: short stacking energy: -30.472
Base-Backbone interact. energy: -0.912
local terms energy: -57.334087
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -8.374
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: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -110.401325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.401325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.401325 (E_RNA)
where:
Base-Base interactions energy: -49.183
where: short stacking energy: -41.437
Base-Backbone interact. energy: -0.071
local terms energy: -61.147378
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -94.633505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.633505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.633505 (E_RNA)
where:
Base-Base interactions energy: -31.267
where: short stacking energy: -28.523
Base-Backbone interact. energy: -0.204
local terms energy: -63.163270
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -11.402
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: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -79.118254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.118254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.118254 (E_RNA)
where:
Base-Base interactions energy: -38.256
where: short stacking energy: -22.309
Base-Backbone interact. energy: -0.117
local terms energy: -40.745154
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -68.637380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.637380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.637380 (E_RNA)
where:
Base-Base interactions energy: -19.706
where: short stacking energy: -19.706
Base-Backbone interact. energy: -0.278
local terms energy: -48.654003
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -218.577690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.577690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.577690 (E_RNA)
where:
Base-Base interactions energy: -149.230
where: short stacking energy: -57.926
Base-Backbone interact. energy: -0.267
local terms energy: -69.080747
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -212.404234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.404234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.404234 (E_RNA)
where:
Base-Base interactions energy: -146.049
where: short stacking energy: -56.191
Base-Backbone interact. energy: -0.527
local terms energy: -65.828177
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -178.332778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.332778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.332778 (E_RNA)
where:
Base-Base interactions energy: -115.392
where: short stacking energy: -51.186
Base-Backbone interact. energy: 1.507
local terms energy: -64.447759
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -13.452
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: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -182.488425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.488425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.488425 (E_RNA)
where:
Base-Base interactions energy: -120.719
where: short stacking energy: -50.603
Base-Backbone interact. energy: 1.155
local terms energy: -62.924562
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -110.593420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.593420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.593420 (E_RNA)
where:
Base-Base interactions energy: -50.536
where: short stacking energy: -50.032
Base-Backbone interact. energy: -0.007
local terms energy: -60.050702
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -8.650
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -151.752594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.752594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.752594 (E_RNA)
where:
Base-Base interactions energy: -91.078
where: short stacking energy: -53.435
Base-Backbone interact. energy: -0.051
local terms energy: -60.623845
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -107.914839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.914839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.914839 (E_RNA)
where:
Base-Base interactions energy: -44.904
where: short stacking energy: -44.904
Base-Backbone interact. energy: 0.080
local terms energy: -63.090767
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -93.815464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.815464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.815464 (E_RNA)
where:
Base-Base interactions energy: -42.566
where: short stacking energy: -31.116
Base-Backbone interact. energy: -0.142
local terms energy: -51.106894
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -70.455257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.455257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.455257 (E_RNA)
where:
Base-Base interactions energy: -24.899
where: short stacking energy: -24.899
Base-Backbone interact. energy: -0.116
local terms energy: -45.440195
where:
bonds (distance) C4'-P energy: -4.465
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -4.600
tors. eta vs tors. theta energy: -8.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -81.126921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.126921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.126921 (E_RNA)
where:
Base-Base interactions energy: -28.837
where: short stacking energy: -28.837
Base-Backbone interact. energy: -0.237
local terms energy: -52.053074
where:
bonds (distance) C4'-P energy: -6.950
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -9.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -228.525410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.525410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.525410 (E_RNA)
where:
Base-Base interactions energy: -148.291
where: short stacking energy: -69.947
Base-Backbone interact. energy: -1.222
local terms energy: -79.012728
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -21.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -220.219354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.219354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.219354 (E_RNA)
where:
Base-Base interactions energy: -144.702
where: short stacking energy: -64.943
Base-Backbone interact. energy: -0.819
local terms energy: -74.697401
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -185.520738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.520738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.520738 (E_RNA)
where:
Base-Base interactions energy: -115.436
where: short stacking energy: -47.697
Base-Backbone interact. energy: -0.264
local terms energy: -69.820558
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -171.975616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.975616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.975616 (E_RNA)
where:
Base-Base interactions energy: -105.665
where: short stacking energy: -53.274
Base-Backbone interact. energy: -0.055
local terms energy: -66.255682
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -144.533368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.533368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.533368 (E_RNA)
where:
Base-Base interactions energy: -99.306
where: short stacking energy: -39.166
Base-Backbone interact. energy: -0.060
local terms energy: -45.167622
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -95.448746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.448746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.448746 (E_RNA)
where:
Base-Base interactions energy: -37.330
where: short stacking energy: -32.472
Base-Backbone interact. energy: -0.003
local terms energy: -58.116112
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -83.320447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.320447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.320447 (E_RNA)
where:
Base-Base interactions energy: -33.584
where: short stacking energy: -22.649
Base-Backbone interact. energy: -0.609
local terms energy: -49.127245
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -10.248
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: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -85.488098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.488098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.488098 (E_RNA)
where:
Base-Base interactions energy: -35.788
where: short stacking energy: -25.279
Base-Backbone interact. energy: 0.880
local terms energy: -50.579972
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -81.202862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.202862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.202862 (E_RNA)
where:
Base-Base interactions energy: -41.634
where: short stacking energy: -28.033
Base-Backbone interact. energy: -0.373
local terms energy: -39.195033
where:
bonds (distance) C4'-P energy: -8.854
bonds (distance) P-C4' energy: -9.302
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -80.506897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.506897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.506897 (E_RNA)
where:
Base-Base interactions energy: -32.592
where: short stacking energy: -32.592
Base-Backbone interact. energy: -0.079
local terms energy: -47.835673
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -7.818
flat angles P-C4'-P energy: -3.752
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: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -232.904947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.904947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.904947 (E_RNA)
where:
Base-Base interactions energy: -152.437
where: short stacking energy: -73.014
Base-Backbone interact. energy: -1.508
local terms energy: -78.959626
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -207.850161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.850161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.850161 (E_RNA)
where:
Base-Base interactions energy: -134.309
where: short stacking energy: -58.709
Base-Backbone interact. energy: -0.021
local terms energy: -73.520060
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -198.105833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.105833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.105833 (E_RNA)
where:
Base-Base interactions energy: -134.298
where: short stacking energy: -56.560
Base-Backbone interact. energy: 0.632
local terms energy: -64.439871
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -16.580
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: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -171.714841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.714841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.714841 (E_RNA)
where:
Base-Base interactions energy: -110.989
where: short stacking energy: -46.947
Base-Backbone interact. energy: 0.708
local terms energy: -61.433134
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -10.565
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: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -154.546625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.546625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.546625 (E_RNA)
where:
Base-Base interactions energy: -101.964
where: short stacking energy: -40.673
Base-Backbone interact. energy: -0.234
local terms energy: -52.348960
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -12.529
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: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -98.292262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.292262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.292262 (E_RNA)
where:
Base-Base interactions energy: -39.528
where: short stacking energy: -39.528
Base-Backbone interact. energy: -0.053
local terms energy: -58.711572
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -88.401277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.401277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.401277 (E_RNA)
where:
Base-Base interactions energy: -44.596
where: short stacking energy: -29.691
Base-Backbone interact. energy: -0.011
local terms energy: -43.794576
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: 0.076
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: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -83.567545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.567545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.567545 (E_RNA)
where:
Base-Base interactions energy: -40.354
where: short stacking energy: -32.773
Base-Backbone interact. energy: 3.225
local terms energy: -46.437973
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: 0.613
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: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -93.025518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.025518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.025518 (E_RNA)
where:
Base-Base interactions energy: -34.539
where: short stacking energy: -29.304
Base-Backbone interact. energy: -0.015
local terms energy: -58.471428
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -81.175960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.175960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.175960 (E_RNA)
where:
Base-Base interactions energy: -28.219
where: short stacking energy: -25.951
Base-Backbone interact. energy: -0.919
local terms energy: -52.038596
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -209.646090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.646090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.646090 (E_RNA)
where:
Base-Base interactions energy: -142.554
where: short stacking energy: -60.204
Base-Backbone interact. energy: -0.113
local terms energy: -66.979332
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -16.309
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: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -220.860393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.860393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.860393 (E_RNA)
where:
Base-Base interactions energy: -142.838
where: short stacking energy: -65.907
Base-Backbone interact. energy: -0.025
local terms energy: -77.997617
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -19.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -188.682347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.682347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.682347 (E_RNA)
where:
Base-Base interactions energy: -122.579
where: short stacking energy: -58.526
Base-Backbone interact. energy: -0.228
local terms energy: -65.875823
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -134.930854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.930854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.930854 (E_RNA)
where:
Base-Base interactions energy: -79.185
where: short stacking energy: -44.287
Base-Backbone interact. energy: -0.096
local terms energy: -55.650376
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -5.825
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: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -149.936919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.936919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.936919 (E_RNA)
where:
Base-Base interactions energy: -84.574
where: short stacking energy: -37.841
Base-Backbone interact. energy: -1.166
local terms energy: -64.197171
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -11.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -91.388363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.388363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.388363 (E_RNA)
where:
Base-Base interactions energy: -33.868
where: short stacking energy: -26.006
Base-Backbone interact. energy: -0.225
local terms energy: -57.294628
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -93.608173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.608173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.608173 (E_RNA)
where:
Base-Base interactions energy: -38.911
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.261
local terms energy: -54.435523
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -5.989
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: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -85.189978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.189978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.189978 (E_RNA)
where:
Base-Base interactions energy: -34.871
where: short stacking energy: -33.656
Base-Backbone interact. energy: -0.004
local terms energy: -50.314183
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -81.087838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.087838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.087838 (E_RNA)
where:
Base-Base interactions energy: -33.814
where: short stacking energy: -30.714
Base-Backbone interact. energy: -0.012
local terms energy: -47.261705
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -8.762
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -7.879
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: 10, replica: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -82.359980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.359980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.359980 (E_RNA)
where:
Base-Base interactions energy: -30.931
where: short stacking energy: -30.931
Base-Backbone interact. energy: -0.130
local terms energy: -51.299034
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -5.879
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: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -223.850578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.850578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.850578 (E_RNA)
where:
Base-Base interactions energy: -143.972
where: short stacking energy: -67.141
Base-Backbone interact. energy: -0.825
local terms energy: -79.053481
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -18.049
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: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -200.169026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.169026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.169026 (E_RNA)
where:
Base-Base interactions energy: -124.150
where: short stacking energy: -62.940
Base-Backbone interact. energy: -0.045
local terms energy: -75.974167
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -18.979
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: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -209.110545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.110545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.110545 (E_RNA)
where:
Base-Base interactions energy: -138.793
where: short stacking energy: -62.489
Base-Backbone interact. energy: -0.050
local terms energy: -70.267535
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -165.548675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.548675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.548675 (E_RNA)
where:
Base-Base interactions energy: -106.907
where: short stacking energy: -41.978
Base-Backbone interact. energy: -0.537
local terms energy: -58.104102
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -10.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -139.068006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.068006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.068006 (E_RNA)
where:
Base-Base interactions energy: -80.454
where: short stacking energy: -45.263
Base-Backbone interact. energy: -0.261
local terms energy: -58.353486
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -8.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -101.581366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.581366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.581366 (E_RNA)
where:
Base-Base interactions energy: -52.520
where: short stacking energy: -28.897
Base-Backbone interact. energy: -0.275
local terms energy: -48.787023
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -97.865312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.865312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.865312 (E_RNA)
where:
Base-Base interactions energy: -37.653
where: short stacking energy: -37.663
Base-Backbone interact. energy: -0.338
local terms energy: -59.874074
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -84.916170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.916170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.916170 (E_RNA)
where:
Base-Base interactions energy: -26.918
where: short stacking energy: -26.918
Base-Backbone interact. energy: -0.045
local terms energy: -57.953229
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -78.358264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.358264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.358264 (E_RNA)
where:
Base-Base interactions energy: -30.250
where: short stacking energy: -28.905
Base-Backbone interact. energy: -0.249
local terms energy: -47.858715
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -75.108346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.108346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.108346 (E_RNA)
where:
Base-Base interactions energy: -26.312
where: short stacking energy: -26.144
Base-Backbone interact. energy: -0.082
local terms energy: -48.714318
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -6.704
flat angles P-C4'-P energy: -8.986
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: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -228.200537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.200537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.200537 (E_RNA)
where:
Base-Base interactions energy: -153.230
where: short stacking energy: -62.019
Base-Backbone interact. energy: -0.064
local terms energy: -74.906546
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -18.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -200.152006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.152006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.152006 (E_RNA)
where:
Base-Base interactions energy: -126.425
where: short stacking energy: -49.415
Base-Backbone interact. energy: -0.058
local terms energy: -73.669290
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -199.377418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.377418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.377418 (E_RNA)
where:
Base-Base interactions energy: -129.258
where: short stacking energy: -60.165
Base-Backbone interact. energy: -1.108
local terms energy: -69.011340
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -145.954826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.954826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.954826 (E_RNA)
where:
Base-Base interactions energy: -88.380
where: short stacking energy: -45.004
Base-Backbone interact. energy: -0.032
local terms energy: -57.542757
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -155.697863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.697863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.697863 (E_RNA)
where:
Base-Base interactions energy: -97.261
where: short stacking energy: -38.675
Base-Backbone interact. energy: -1.170
local terms energy: -57.266798
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -103.547344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.547344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.547344 (E_RNA)
where:
Base-Base interactions energy: -37.894
where: short stacking energy: -37.789
Base-Backbone interact. energy: -0.945
local terms energy: -64.708090
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -7.783
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: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -89.875238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.875238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.875238 (E_RNA)
where:
Base-Base interactions energy: -34.202
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.622
local terms energy: -55.050674
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -98.068505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.068505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.068505 (E_RNA)
where:
Base-Base interactions energy: -44.431
where: short stacking energy: -28.627
Base-Backbone interact. energy: -0.206
local terms energy: -53.431001
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -80.208249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.208249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.208249 (E_RNA)
where:
Base-Base interactions energy: -40.659
where: short stacking energy: -23.871
Base-Backbone interact. energy: -0.218
local terms energy: -39.330824
where:
bonds (distance) C4'-P energy: -6.051
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: -2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -74.688661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.688661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.688661 (E_RNA)
where:
Base-Base interactions energy: -28.528
where: short stacking energy: -26.067
Base-Backbone interact. energy: -0.161
local terms energy: -45.999864
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -220.136519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.136519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.136519 (E_RNA)
where:
Base-Base interactions energy: -142.470
where: short stacking energy: -63.099
Base-Backbone interact. energy: -0.011
local terms energy: -77.656434
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -213.390225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.390225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.390225 (E_RNA)
where:
Base-Base interactions energy: -140.197
where: short stacking energy: -59.014
Base-Backbone interact. energy: -0.116
local terms energy: -73.077816
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -190.877613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.877613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.877613 (E_RNA)
where:
Base-Base interactions energy: -117.904
where: short stacking energy: -45.022
Base-Backbone interact. energy: -0.225
local terms energy: -72.748562
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -158.907949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.907949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.907949 (E_RNA)
where:
Base-Base interactions energy: -100.376
where: short stacking energy: -53.319
Base-Backbone interact. energy: -0.132
local terms energy: -58.400040
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -10.240
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: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -172.026095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.026095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.026095 (E_RNA)
where:
Base-Base interactions energy: -107.217
where: short stacking energy: -44.563
Base-Backbone interact. energy: -0.588
local terms energy: -64.220375
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -107.190347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.190347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.190347 (E_RNA)
where:
Base-Base interactions energy: -45.955
where: short stacking energy: -45.955
Base-Backbone interact. energy: -0.182
local terms energy: -61.054039
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -84.746678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.746678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.746678 (E_RNA)
where:
Base-Base interactions energy: -26.502
where: short stacking energy: -18.877
Base-Backbone interact. energy: 0.392
local terms energy: -58.636573
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -10.117
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: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -89.304921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.304921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.304921 (E_RNA)
where:
Base-Base interactions energy: -35.260
where: short stacking energy: -34.493
Base-Backbone interact. energy: 0.509
local terms energy: -54.553875
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -5.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -78.408692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.408692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.408692 (E_RNA)
where:
Base-Base interactions energy: -24.883
where: short stacking energy: -24.883
Base-Backbone interact. energy: -0.166
local terms energy: -53.359183
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -73.636240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.636240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.636240 (E_RNA)
where:
Base-Base interactions energy: -24.146
where: short stacking energy: -18.651
Base-Backbone interact. energy: -0.144
local terms energy: -49.346113
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -0.088
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: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -222.995420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.995420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.995420 (E_RNA)
where:
Base-Base interactions energy: -149.250
where: short stacking energy: -64.341
Base-Backbone interact. energy: -0.095
local terms energy: -73.650437
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -17.760
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: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -231.161849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.161849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.161849 (E_RNA)
where:
Base-Base interactions energy: -151.340
where: short stacking energy: -59.974
Base-Backbone interact. energy: -0.260
local terms energy: -79.562262
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -167.625259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.625259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.625259 (E_RNA)
where:
Base-Base interactions energy: -104.188
where: short stacking energy: -53.705
Base-Backbone interact. energy: -0.073
local terms energy: -63.364540
where:
bonds (distance) C4'-P energy: -7.947
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -159.812068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.812068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.812068 (E_RNA)
where:
Base-Base interactions energy: -98.859
where: short stacking energy: -52.423
Base-Backbone interact. energy: -0.015
local terms energy: -60.938319
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -10.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -173.068292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.068292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.068292 (E_RNA)
where:
Base-Base interactions energy: -105.300
where: short stacking energy: -57.001
Base-Backbone interact. energy: -0.102
local terms energy: -67.666746
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -90.258482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.258482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.258482 (E_RNA)
where:
Base-Base interactions energy: -36.981
where: short stacking energy: -36.981
Base-Backbone interact. energy: -0.087
local terms energy: -53.190942
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -89.413390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.413390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.413390 (E_RNA)
where:
Base-Base interactions energy: -29.466
where: short stacking energy: -25.635
Base-Backbone interact. energy: -0.032
local terms energy: -59.914762
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -11.435
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: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -91.529647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.529647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.529647 (E_RNA)
where:
Base-Base interactions energy: -46.151
where: short stacking energy: -28.045
Base-Backbone interact. energy: -0.047
local terms energy: -45.331673
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -8.284
flat angles P-C4'-P energy: -4.489
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -77.465338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.465338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.465338 (E_RNA)
where:
Base-Base interactions energy: -23.358
where: short stacking energy: -18.030
Base-Backbone interact. energy: -0.095
local terms energy: -54.011936
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -83.276288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.276288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.276288 (E_RNA)
where:
Base-Base interactions energy: -35.717
where: short stacking energy: -23.301
Base-Backbone interact. energy: -0.262
local terms energy: -47.297574
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -221.198621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.198621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.198621 (E_RNA)
where:
Base-Base interactions energy: -140.067
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.423
local terms energy: -80.708523
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -224.946304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.946304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.946304 (E_RNA)
where:
Base-Base interactions energy: -163.490
where: short stacking energy: -61.059
Base-Backbone interact. energy: 0.476
local terms energy: -61.931676
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -163.426690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.426690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.426690 (E_RNA)
where:
Base-Base interactions energy: -99.107
where: short stacking energy: -51.487
Base-Backbone interact. energy: -0.081
local terms energy: -64.238341
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -13.530
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: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -168.626174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.626174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.626174 (E_RNA)
where:
Base-Base interactions energy: -95.790
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.214
local terms energy: -72.622348
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -151.100498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.100498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.100498 (E_RNA)
where:
Base-Base interactions energy: -90.933
where: short stacking energy: -48.019
Base-Backbone interact. energy: -0.254
local terms energy: -59.913360
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -13.214
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: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -99.622948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.622948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.622948 (E_RNA)
where:
Base-Base interactions energy: -44.301
where: short stacking energy: -32.215
Base-Backbone interact. energy: -0.131
local terms energy: -55.191275
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -4.538
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: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -81.961818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.961818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.961818 (E_RNA)
where:
Base-Base interactions energy: -28.370
where: short stacking energy: -27.502
Base-Backbone interact. energy: -0.141
local terms energy: -53.451024
where:
bonds (distance) C4'-P energy: -7.693
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -11.350
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: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -78.733423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.733423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.733423 (E_RNA)
where:
Base-Base interactions energy: -28.438
where: short stacking energy: -28.214
Base-Backbone interact. energy: -0.105
local terms energy: -50.190298
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -82.585621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.585621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.585621 (E_RNA)
where:
Base-Base interactions energy: -28.130
where: short stacking energy: -28.130
Base-Backbone interact. energy: -0.037
local terms energy: -54.417783
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -10.062
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: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -75.108952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.108952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.108952 (E_RNA)
where:
Base-Base interactions energy: -33.323
where: short stacking energy: -19.679
Base-Backbone interact. energy: -0.882
local terms energy: -40.903802
where:
bonds (distance) C4'-P energy: -7.090
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -222.710583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.710583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.710583 (E_RNA)
where:
Base-Base interactions energy: -148.656
where: short stacking energy: -67.664
Base-Backbone interact. energy: -0.192
local terms energy: -73.862588
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -220.612800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.612800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.612800 (E_RNA)
where:
Base-Base interactions energy: -166.805
where: short stacking energy: -51.072
Base-Backbone interact. energy: -0.094
local terms energy: -53.714379
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -14.461
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: 48
Temperature: 1.000000
Total energy: -167.390608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.390608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.390608 (E_RNA)
where:
Base-Base interactions energy: -100.370
where: short stacking energy: -51.682
Base-Backbone interact. energy: -0.036
local terms energy: -66.984798
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -13.063
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: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -149.252921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.252921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.252921 (E_RNA)
where:
Base-Base interactions energy: -90.799
where: short stacking energy: -36.369
Base-Backbone interact. energy: -0.485
local terms energy: -57.968065
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -7.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -145.484259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.484259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.484259 (E_RNA)
where:
Base-Base interactions energy: -81.317
where: short stacking energy: -39.728
Base-Backbone interact. energy: 1.649
local terms energy: -65.815793
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -11.376
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: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -100.390343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.390343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.390343 (E_RNA)
where:
Base-Base interactions energy: -43.698
where: short stacking energy: -37.270
Base-Backbone interact. energy: -0.368
local terms energy: -56.323951
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -97.514014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.514014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.514014 (E_RNA)
where:
Base-Base interactions energy: -36.383
where: short stacking energy: -34.364
Base-Backbone interact. energy: -0.034
local terms energy: -61.097740
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -12.327
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: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -77.482801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.482801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.482801 (E_RNA)
where:
Base-Base interactions energy: -30.641
where: short stacking energy: -30.473
Base-Backbone interact. energy: -0.017
local terms energy: -46.824907
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -7.759
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: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -88.982021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.982021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.982021 (E_RNA)
where:
Base-Base interactions energy: -39.488
where: short stacking energy: -29.664
Base-Backbone interact. energy: -0.246
local terms energy: -49.247750
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -1.812
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: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -73.348777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.348777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.348777 (E_RNA)
where:
Base-Base interactions energy: -23.388
where: short stacking energy: -23.048
Base-Backbone interact. energy: -0.099
local terms energy: -49.861166
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -218.726483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.726483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.726483 (E_RNA)
where:
Base-Base interactions energy: -146.691
where: short stacking energy: -59.706
Base-Backbone interact. energy: -0.593
local terms energy: -71.441943
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -221.475288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.475288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.475288 (E_RNA)
where:
Base-Base interactions energy: -149.982
where: short stacking energy: -62.357
Base-Backbone interact. energy: -0.797
local terms energy: -70.695449
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -19.353
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: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -174.030251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.030251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.030251 (E_RNA)
where:
Base-Base interactions energy: -107.554
where: short stacking energy: -55.937
Base-Backbone interact. energy: -0.898
local terms energy: -65.578589
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -14.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -168.489985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.489985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.489985 (E_RNA)
where:
Base-Base interactions energy: -107.209
where: short stacking energy: -42.879
Base-Backbone interact. energy: -0.565
local terms energy: -60.716548
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -153.907691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.907691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.907691 (E_RNA)
where:
Base-Base interactions energy: -92.830
where: short stacking energy: -55.226
Base-Backbone interact. energy: -1.087
local terms energy: -59.990648
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -14.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -106.208328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.208328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.208328 (E_RNA)
where:
Base-Base interactions energy: -45.756
where: short stacking energy: -31.373
Base-Backbone interact. energy: -0.708
local terms energy: -59.744025
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -97.323975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.323975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.323975 (E_RNA)
where:
Base-Base interactions energy: -45.078
where: short stacking energy: -33.971
Base-Backbone interact. energy: -0.938
local terms energy: -51.308157
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -3.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -81.134624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.134624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.134624 (E_RNA)
where:
Base-Base interactions energy: -41.085
where: short stacking energy: -27.009
Base-Backbone interact. energy: -0.094
local terms energy: -39.955194
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -2.464
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -77.630117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.630117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.630117 (E_RNA)
where:
Base-Base interactions energy: -31.936
where: short stacking energy: -31.936
Base-Backbone interact. energy: 1.427
local terms energy: -47.120903
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -1.096
tors. eta vs tors. theta energy: -6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -72.116920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.116920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.116920 (E_RNA)
where:
Base-Base interactions energy: -20.241
where: short stacking energy: -18.292
Base-Backbone interact. energy: -0.250
local terms energy: -51.626175
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -10.790
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: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -227.409633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.409633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.409633 (E_RNA)
where:
Base-Base interactions energy: -150.629
where: short stacking energy: -59.518
Base-Backbone interact. energy: -0.051
local terms energy: -76.730289
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -215.793452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.793452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.793452 (E_RNA)
where:
Base-Base interactions energy: -141.388
where: short stacking energy: -58.414
Base-Backbone interact. energy: -0.366
local terms energy: -74.039256
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -168.725642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.725642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.725642 (E_RNA)
where:
Base-Base interactions energy: -102.899
where: short stacking energy: -56.189
Base-Backbone interact. energy: -0.022
local terms energy: -65.804450
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -173.614227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.614227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.614227 (E_RNA)
where:
Base-Base interactions energy: -106.020
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.002
local terms energy: -67.591996
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -19.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -104.716891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.716891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.716891 (E_RNA)
where:
Base-Base interactions energy: -49.453
where: short stacking energy: -37.876
Base-Backbone interact. energy: -0.227
local terms energy: -55.036811
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -114.896328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.896328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.896328 (E_RNA)
where:
Base-Base interactions energy: -67.530
where: short stacking energy: -42.463
Base-Backbone interact. energy: 0.822
local terms energy: -48.187695
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -8.590
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -6.283
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: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -88.709831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.709831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.709831 (E_RNA)
where:
Base-Base interactions energy: -27.585
where: short stacking energy: -27.585
Base-Backbone interact. energy: -0.205
local terms energy: -60.919594
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -12.556
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: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -104.221994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.221994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.221994 (E_RNA)
where:
Base-Base interactions energy: -55.851
where: short stacking energy: -25.943
Base-Backbone interact. energy: -1.278
local terms energy: -47.092369
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -89.629213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.629213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.629213 (E_RNA)
where:
Base-Base interactions energy: -37.067
where: short stacking energy: -32.835
Base-Backbone interact. energy: 4.645
local terms energy: -57.207107
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -7.390
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: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -81.227417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.227417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.227417 (E_RNA)
where:
Base-Base interactions energy: -29.969
where: short stacking energy: -28.735
Base-Backbone interact. energy: -0.137
local terms energy: -51.121737
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -232.292820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.292820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.292820 (E_RNA)
where:
Base-Base interactions energy: -154.977
where: short stacking energy: -63.078
Base-Backbone interact. energy: -0.044
local terms energy: -77.272355
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -21.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -223.608612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.608612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.608612 (E_RNA)
where:
Base-Base interactions energy: -153.048
where: short stacking energy: -62.240
Base-Backbone interact. energy: -0.736
local terms energy: -69.824186
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -176.109955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.109955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.109955 (E_RNA)
where:
Base-Base interactions energy: -108.057
where: short stacking energy: -57.107
Base-Backbone interact. energy: -0.101
local terms energy: -67.951882
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -16.691
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: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -161.536541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.536541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.536541 (E_RNA)
where:
Base-Base interactions energy: -103.512
where: short stacking energy: -43.146
Base-Backbone interact. energy: 0.094
local terms energy: -58.118830
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -12.471
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: 51
Temperature: 1.100000
Total energy: -130.626067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.626067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.626067 (E_RNA)
where:
Base-Base interactions energy: -73.864
where: short stacking energy: -27.092
Base-Backbone interact. energy: -1.071
local terms energy: -55.690558
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -7.813
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: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -97.706602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.706602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.706602 (E_RNA)
where:
Base-Base interactions energy: -52.013
where: short stacking energy: -27.675
Base-Backbone interact. energy: 2.044
local terms energy: -47.737088
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: 1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -85.947307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.947307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.947307 (E_RNA)
where:
Base-Base interactions energy: -37.077
where: short stacking energy: -26.944
Base-Backbone interact. energy: -0.644
local terms energy: -48.225765
where:
bonds (distance) C4'-P energy: -5.946
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: 0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -82.552350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.552350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.552350 (E_RNA)
where:
Base-Base interactions energy: -32.433
where: short stacking energy: -22.014
Base-Backbone interact. energy: -0.005
local terms energy: -50.113864
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -84.285998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.285998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.285998 (E_RNA)
where:
Base-Base interactions energy: -35.491
where: short stacking energy: -32.364
Base-Backbone interact. energy: -0.009
local terms energy: -48.786154
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -2.473
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: 10, replica: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -80.315379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.315379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.315379 (E_RNA)
where:
Base-Base interactions energy: -33.474
where: short stacking energy: -28.030
Base-Backbone interact. energy: -0.130
local terms energy: -46.712036
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -10.117
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -7.191
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: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -224.654003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.654003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.654003 (E_RNA)
where:
Base-Base interactions energy: -149.299
where: short stacking energy: -60.577
Base-Backbone interact. energy: -0.006
local terms energy: -75.348763
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -220.135892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.135892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.135892 (E_RNA)
where:
Base-Base interactions energy: -144.038
where: short stacking energy: -62.930
Base-Backbone interact. energy: -0.007
local terms energy: -76.090873
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -20.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -176.761959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.761959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.761959 (E_RNA)
where:
Base-Base interactions energy: -106.536
where: short stacking energy: -60.787
Base-Backbone interact. energy: -0.021
local terms energy: -70.204641
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -155.314592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.314592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.314592 (E_RNA)
where:
Base-Base interactions energy: -84.438
where: short stacking energy: -43.783
Base-Backbone interact. energy: -0.073
local terms energy: -70.803476
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -12.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -101.203092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.203092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.203092 (E_RNA)
where:
Base-Base interactions energy: -40.285
where: short stacking energy: -38.767
Base-Backbone interact. energy: -0.048
local terms energy: -60.870245
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -10.897
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: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -117.139859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.139859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.139859 (E_RNA)
where:
Base-Base interactions energy: -57.989
where: short stacking energy: -33.233
Base-Backbone interact. energy: -0.118
local terms energy: -59.032833
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -5.246
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: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -96.704044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.704044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.704044 (E_RNA)
where:
Base-Base interactions energy: -44.408
where: short stacking energy: -24.954
Base-Backbone interact. energy: -0.257
local terms energy: -52.038877
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -9.085
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: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -84.311056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.311056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.311056 (E_RNA)
where:
Base-Base interactions energy: -31.688
where: short stacking energy: -23.050
Base-Backbone interact. energy: 0.234
local terms energy: -52.857085
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -82.766684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.766684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.766684 (E_RNA)
where:
Base-Base interactions energy: -38.847
where: short stacking energy: -18.946
Base-Backbone interact. energy: 0.806
local terms energy: -44.725973
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -70.426117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.426117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.426117 (E_RNA)
where:
Base-Base interactions energy: -26.860
where: short stacking energy: -23.886
Base-Backbone interact. energy: -0.249
local terms energy: -43.316684
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: 1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -215.495093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.495093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.495093 (E_RNA)
where:
Base-Base interactions energy: -146.545
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.017
local terms energy: -68.932709
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -222.356395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.356395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.356395 (E_RNA)
where:
Base-Base interactions energy: -150.653
where: short stacking energy: -57.435
Base-Backbone interact. energy: -0.742
local terms energy: -70.961307
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -16.927
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: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -183.489339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.489339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.489339 (E_RNA)
where:
Base-Base interactions energy: -115.713
where: short stacking energy: -53.492
Base-Backbone interact. energy: -0.007
local terms energy: -67.769487
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -160.644601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.644601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.644601 (E_RNA)
where:
Base-Base interactions energy: -103.962
where: short stacking energy: -40.495
Base-Backbone interact. energy: -0.447
local terms energy: -56.235905
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -8.906
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: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -124.613760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.613760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.613760 (E_RNA)
where:
Base-Base interactions energy: -61.867
where: short stacking energy: -57.454
Base-Backbone interact. energy: -0.748
local terms energy: -61.999310
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -89.950961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.950961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.950961 (E_RNA)
where:
Base-Base interactions energy: -40.458
where: short stacking energy: -26.128
Base-Backbone interact. energy: -0.256
local terms energy: -49.236850
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -101.782930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.782930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.782930 (E_RNA)
where:
Base-Base interactions energy: -55.257
where: short stacking energy: -41.689
Base-Backbone interact. energy: -0.227
local terms energy: -46.299586
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -6.894
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -95.446895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.446895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.446895 (E_RNA)
where:
Base-Base interactions energy: -46.349
where: short stacking energy: -22.867
Base-Backbone interact. energy: 0.288
local terms energy: -49.386524
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -7.832
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: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -76.682073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.682073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.682073 (E_RNA)
where:
Base-Base interactions energy: -26.560
where: short stacking energy: -24.883
Base-Backbone interact. energy: -0.014
local terms energy: -50.107384
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -75.016083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.016083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.016083 (E_RNA)
where:
Base-Base interactions energy: -40.048
where: short stacking energy: -17.858
Base-Backbone interact. energy: 0.674
local terms energy: -35.642389
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -4.242
flat angles P-C4'-P energy: -8.022
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: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -225.670304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.670304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.670304 (E_RNA)
where:
Base-Base interactions energy: -144.643
where: short stacking energy: -65.953
Base-Backbone interact. energy: -0.000
local terms energy: -81.027447
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -17.955
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: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -210.967537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.967537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.967537 (E_RNA)
where:
Base-Base interactions energy: -142.958
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.189
local terms energy: -67.821047
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -152.450488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.450488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.450488 (E_RNA)
where:
Base-Base interactions energy: -95.724
where: short stacking energy: -40.455
Base-Backbone interact. energy: -0.450
local terms energy: -56.276001
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -9.143
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: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -173.535025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.535025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.535025 (E_RNA)
where:
Base-Base interactions energy: -112.307
where: short stacking energy: -53.998
Base-Backbone interact. energy: -0.741
local terms energy: -60.486430
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -9.628
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -111.523907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.523907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.523907 (E_RNA)
where:
Base-Base interactions energy: -49.718
where: short stacking energy: -49.718
Base-Backbone interact. energy: -0.032
local terms energy: -61.773818
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.745
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -107.649266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.649266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.649266 (E_RNA)
where:
Base-Base interactions energy: -56.125
where: short stacking energy: -18.091
Base-Backbone interact. energy: -1.399
local terms energy: -50.125138
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -94.183946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.183946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.183946 (E_RNA)
where:
Base-Base interactions energy: -31.962
where: short stacking energy: -31.674
Base-Backbone interact. energy: -0.026
local terms energy: -62.195937
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -87.057909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.057909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.057909 (E_RNA)
where:
Base-Base interactions energy: -30.802
where: short stacking energy: -28.821
Base-Backbone interact. energy: 0.743
local terms energy: -56.999621
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -78.794257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.794257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.794257 (E_RNA)
where:
Base-Base interactions energy: -39.900
where: short stacking energy: -27.710
Base-Backbone interact. energy: -0.204
local terms energy: -38.690073
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: 2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -83.986099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.986099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.986099 (E_RNA)
where:
Base-Base interactions energy: -35.088
where: short stacking energy: -24.821
Base-Backbone interact. energy: 1.562
local terms energy: -50.460148
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: 0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -213.302831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.302831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.302831 (E_RNA)
where:
Base-Base interactions energy: -138.336
where: short stacking energy: -56.923
Base-Backbone interact. energy: -0.350
local terms energy: -74.616967
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -209.982150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.982150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.982150 (E_RNA)
where:
Base-Base interactions energy: -132.572
where: short stacking energy: -51.561
Base-Backbone interact. energy: -0.391
local terms energy: -77.019271
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -16.654
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: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -162.088502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.088502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.088502 (E_RNA)
where:
Base-Base interactions energy: -104.079
where: short stacking energy: -54.133
Base-Backbone interact. energy: -0.137
local terms energy: -57.872832
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -9.395
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: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -176.189834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.189834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.189834 (E_RNA)
where:
Base-Base interactions energy: -107.909
where: short stacking energy: -59.105
Base-Backbone interact. energy: -0.004
local terms energy: -68.277132
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -97.974925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.974925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.974925 (E_RNA)
where:
Base-Base interactions energy: -45.479
where: short stacking energy: -34.478
Base-Backbone interact. energy: -0.347
local terms energy: -52.148337
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -127.485334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.485334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.485334 (E_RNA)
where:
Base-Base interactions energy: -64.263
where: short stacking energy: -34.741
Base-Backbone interact. energy: -0.140
local terms energy: -63.082409
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -8.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -88.735051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.735051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.735051 (E_RNA)
where:
Base-Base interactions energy: -40.308
where: short stacking energy: -30.102
Base-Backbone interact. energy: -0.758
local terms energy: -47.668293
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -1.362
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: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -93.787992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.787992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.787992 (E_RNA)
where:
Base-Base interactions energy: -34.767
where: short stacking energy: -34.762
Base-Backbone interact. energy: -0.594
local terms energy: -58.427383
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -90.221922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.221922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.221922 (E_RNA)
where:
Base-Base interactions energy: -37.368
where: short stacking energy: -37.368
Base-Backbone interact. energy: -0.171
local terms energy: -52.682917
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -7.445
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -75.874634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.874634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.874634 (E_RNA)
where:
Base-Base interactions energy: -30.239
where: short stacking energy: -27.237
Base-Backbone interact. energy: -0.004
local terms energy: -45.632270
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -2.343
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: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -219.683527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.683527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.683527 (E_RNA)
where:
Base-Base interactions energy: -149.689
where: short stacking energy: -50.975
Base-Backbone interact. energy: 0.133
local terms energy: -70.128048
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -216.789562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.789562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.789562 (E_RNA)
where:
Base-Base interactions energy: -142.317
where: short stacking energy: -63.586
Base-Backbone interact. energy: 1.010
local terms energy: -75.483182
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -178.368426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.368426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.368426 (E_RNA)
where:
Base-Base interactions energy: -107.940
where: short stacking energy: -58.697
Base-Backbone interact. energy: -0.019
local terms energy: -70.410113
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -14.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -183.674595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.674595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.674595 (E_RNA)
where:
Base-Base interactions energy: -115.216
where: short stacking energy: -56.433
Base-Backbone interact. energy: -0.083
local terms energy: -68.375523
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -149.423763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.423763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.423763 (E_RNA)
where:
Base-Base interactions energy: -96.846
where: short stacking energy: -33.941
Base-Backbone interact. energy: -0.201
local terms energy: -52.377312
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -7.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -99.028478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.028478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.028478 (E_RNA)
where:
Base-Base interactions energy: -38.364
where: short stacking energy: -31.409
Base-Backbone interact. energy: -0.116
local terms energy: -60.548684
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -88.136654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.136654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.136654 (E_RNA)
where:
Base-Base interactions energy: -37.248
where: short stacking energy: -20.915
Base-Backbone interact. energy: -0.237
local terms energy: -50.651151
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -94.097170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.097170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.097170 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -37.787
Base-Backbone interact. energy: -0.363
local terms energy: -54.196056
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -2.676
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -84.837839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.837839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.837839 (E_RNA)
where:
Base-Base interactions energy: -36.804
where: short stacking energy: -36.804
Base-Backbone interact. energy: -0.200
local terms energy: -47.833881
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -7.151
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -78.750008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.750008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.750008 (E_RNA)
where:
Base-Base interactions energy: -33.642
where: short stacking energy: -29.323
Base-Backbone interact. energy: -1.027
local terms energy: -44.080457
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: 0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -227.012360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.012360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.012360 (E_RNA)
where:
Base-Base interactions energy: -152.351
where: short stacking energy: -56.568
Base-Backbone interact. energy: -0.619
local terms energy: -74.042877
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -19.887
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: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -219.670517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.670517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.670517 (E_RNA)
where:
Base-Base interactions energy: -147.958
where: short stacking energy: -65.741
Base-Backbone interact. energy: 0.043
local terms energy: -71.755650
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -182.676235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.676235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.676235 (E_RNA)
where:
Base-Base interactions energy: -121.175
where: short stacking energy: -59.618
Base-Backbone interact. energy: -0.000
local terms energy: -61.500605
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -189.486627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.486627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.486627 (E_RNA)
where:
Base-Base interactions energy: -126.113
where: short stacking energy: -66.479
Base-Backbone interact. energy: -0.027
local terms energy: -63.346577
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -171.240901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.240901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.240901 (E_RNA)
where:
Base-Base interactions energy: -111.014
where: short stacking energy: -56.683
Base-Backbone interact. energy: -0.017
local terms energy: -60.210329
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -97.343061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.343061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.343061 (E_RNA)
where:
Base-Base interactions energy: -41.800
where: short stacking energy: -26.812
Base-Backbone interact. energy: -0.349
local terms energy: -55.193771
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -5.539
tors. eta vs tors. theta energy: -4.671
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: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -112.334701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.334701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.334701 (E_RNA)
where:
Base-Base interactions energy: -57.823
where: short stacking energy: -30.384
Base-Backbone interact. energy: -0.377
local terms energy: -54.134959
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -100.667298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.667298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.667298 (E_RNA)
where:
Base-Base interactions energy: -51.489
where: short stacking energy: -47.322
Base-Backbone interact. energy: 0.427
local terms energy: -49.605689
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -81.713472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.713472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.713472 (E_RNA)
where:
Base-Base interactions energy: -28.004
where: short stacking energy: -22.004
Base-Backbone interact. energy: -0.115
local terms energy: -53.594904
where:
bonds (distance) C4'-P energy: -9.951
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -78.347756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.347756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.347756 (E_RNA)
where:
Base-Base interactions energy: -33.800
where: short stacking energy: -24.889
Base-Backbone interact. energy: -0.176
local terms energy: -44.371387
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -7.637
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: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -227.432391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.432391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.432391 (E_RNA)
where:
Base-Base interactions energy: -153.284
where: short stacking energy: -68.045
Base-Backbone interact. energy: -1.157
local terms energy: -72.992120
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -18.555
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: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -215.862538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.862538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.862538 (E_RNA)
where:
Base-Base interactions energy: -140.742
where: short stacking energy: -70.658
Base-Backbone interact. energy: -1.351
local terms energy: -73.769611
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -183.472001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.472001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.472001 (E_RNA)
where:
Base-Base interactions energy: -110.620
where: short stacking energy: -54.976
Base-Backbone interact. energy: -0.001
local terms energy: -72.851162
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -190.406021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.406021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.406021 (E_RNA)
where:
Base-Base interactions energy: -126.265
where: short stacking energy: -61.692
Base-Backbone interact. energy: -0.082
local terms energy: -64.058936
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -175.645521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.645521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.645521 (E_RNA)
where:
Base-Base interactions energy: -112.986
where: short stacking energy: -58.178
Base-Backbone interact. energy: -0.025
local terms energy: -62.634560
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -97.789019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.789019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.789019 (E_RNA)
where:
Base-Base interactions energy: -41.263
where: short stacking energy: -32.103
Base-Backbone interact. energy: -0.117
local terms energy: -56.408636
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -7.576
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: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -110.558554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.558554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.558554 (E_RNA)
where:
Base-Base interactions energy: -58.146
where: short stacking energy: -40.875
Base-Backbone interact. energy: 1.068
local terms energy: -53.480555
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -95.975741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.975741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.975741 (E_RNA)
where:
Base-Base interactions energy: -45.176
where: short stacking energy: -12.172
Base-Backbone interact. energy: -0.027
local terms energy: -50.772054
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -0.967
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: 58
Temperature: 1.300000
Total energy: -80.486758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.486758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.486758 (E_RNA)
where:
Base-Base interactions energy: -34.574
where: short stacking energy: -19.553
Base-Backbone interact. energy: -0.178
local terms energy: -45.735177
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -7.545
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: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -78.828547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.828547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.828547 (E_RNA)
where:
Base-Base interactions energy: -25.606
where: short stacking energy: -25.606
Base-Backbone interact. energy: -0.172
local terms energy: -53.051125
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -7.501
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: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -231.451963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.451963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.451963 (E_RNA)
where:
Base-Base interactions energy: -157.174
where: short stacking energy: -67.811
Base-Backbone interact. energy: -0.609
local terms energy: -73.668411
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -16.556
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: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -220.692020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.692020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.692020 (E_RNA)
where:
Base-Base interactions energy: -142.668
where: short stacking energy: -60.404
Base-Backbone interact. energy: -0.392
local terms energy: -77.631673
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -182.853360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.853360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.853360 (E_RNA)
where:
Base-Base interactions energy: -107.839
where: short stacking energy: -65.016
Base-Backbone interact. energy: -0.011
local terms energy: -75.004085
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -192.215743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.215743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.215743 (E_RNA)
where:
Base-Base interactions energy: -116.622
where: short stacking energy: -54.748
Base-Backbone interact. energy: 0.257
local terms energy: -75.850581
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -170.632464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.632464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.632464 (E_RNA)
where:
Base-Base interactions energy: -107.848
where: short stacking energy: -51.076
Base-Backbone interact. energy: -0.043
local terms energy: -62.742061
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -12.804
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: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -94.878513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.878513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.878513 (E_RNA)
where:
Base-Base interactions energy: -37.785
where: short stacking energy: -37.151
Base-Backbone interact. energy: -0.098
local terms energy: -56.995336
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -90.052148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.052148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.052148 (E_RNA)
where:
Base-Base interactions energy: -32.001
where: short stacking energy: -19.689
Base-Backbone interact. energy: -0.242
local terms energy: -57.808413
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -97.558898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.558898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.558898 (E_RNA)
where:
Base-Base interactions energy: -42.817
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.331
local terms energy: -54.410548
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -78.153481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.153481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.153481 (E_RNA)
where:
Base-Base interactions energy: -26.564
where: short stacking energy: -19.963
Base-Backbone interact. energy: -0.028
local terms energy: -51.561553
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: 0.175
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: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -70.801438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.801438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.801438 (E_RNA)
where:
Base-Base interactions energy: -28.266
where: short stacking energy: -22.567
Base-Backbone interact. energy: -0.158
local terms energy: -42.377634
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -8.423
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -227.795686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.795686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.795686 (E_RNA)
where:
Base-Base interactions energy: -150.696
where: short stacking energy: -68.189
Base-Backbone interact. energy: -0.069
local terms energy: -77.030892
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -216.917949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.917949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.917949 (E_RNA)
where:
Base-Base interactions energy: -143.505
where: short stacking energy: -62.661
Base-Backbone interact. energy: -0.004
local terms energy: -73.409467
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -16.779
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: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -168.368590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.368590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.368590 (E_RNA)
where:
Base-Base interactions energy: -107.978
where: short stacking energy: -45.755
Base-Backbone interact. energy: -0.540
local terms energy: -59.850325
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -7.950
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: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -179.293863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.293863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.293863 (E_RNA)
where:
Base-Base interactions energy: -116.385
where: short stacking energy: -59.160
Base-Backbone interact. energy: -0.019
local terms energy: -62.890404
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -170.326572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.326572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.326572 (E_RNA)
where:
Base-Base interactions energy: -102.748
where: short stacking energy: -50.275
Base-Backbone interact. energy: -0.565
local terms energy: -67.013810
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -12.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -91.407015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.407015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.407015 (E_RNA)
where:
Base-Base interactions energy: -40.817
where: short stacking energy: -37.256
Base-Backbone interact. energy: -0.094
local terms energy: -50.496177
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -2.885
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: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -103.317226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.317226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.317226 (E_RNA)
where:
Base-Base interactions energy: -50.499
where: short stacking energy: -30.999
Base-Backbone interact. energy: -0.084
local terms energy: -52.734387
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -1.490
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: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -84.099996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.099996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.099996 (E_RNA)
where:
Base-Base interactions energy: -30.274
where: short stacking energy: -22.394
Base-Backbone interact. energy: -0.403
local terms energy: -53.423545
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -3.859
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: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -77.933609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.933609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.933609 (E_RNA)
where:
Base-Base interactions energy: -23.296
where: short stacking energy: -23.296
Base-Backbone interact. energy: -0.198
local terms energy: -54.439198
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -82.441868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.441868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.441868 (E_RNA)
where:
Base-Base interactions energy: -31.654
where: short stacking energy: -24.305
Base-Backbone interact. energy: -0.227
local terms energy: -50.560871
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -0.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -227.053090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.053090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.053090 (E_RNA)
where:
Base-Base interactions energy: -147.335
where: short stacking energy: -61.797
Base-Backbone interact. energy: -0.707
local terms energy: -79.010513
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -20.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -223.347978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.347978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.347978 (E_RNA)
where:
Base-Base interactions energy: -139.998
where: short stacking energy: -68.386
Base-Backbone interact. energy: -0.780
local terms energy: -82.569707
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -21.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -185.040982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.040982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.040982 (E_RNA)
where:
Base-Base interactions energy: -110.089
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.039
local terms energy: -74.912646
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -18.110
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: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -183.925365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.925365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.925365 (E_RNA)
where:
Base-Base interactions energy: -111.040
where: short stacking energy: -53.849
Base-Backbone interact. energy: -0.009
local terms energy: -72.876770
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -169.807034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.807034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.807034 (E_RNA)
where:
Base-Base interactions energy: -111.769
where: short stacking energy: -47.610
Base-Backbone interact. energy: -0.008
local terms energy: -58.029850
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -119.086962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.086962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.086962 (E_RNA)
where:
Base-Base interactions energy: -63.997
where: short stacking energy: -28.962
Base-Backbone interact. energy: -0.189
local terms energy: -54.901431
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -8.189
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: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -91.684579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.684579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.684579 (E_RNA)
where:
Base-Base interactions energy: -40.583
where: short stacking energy: -38.003
Base-Backbone interact. energy: 0.571
local terms energy: -51.673070
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -85.898254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.898254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.898254 (E_RNA)
where:
Base-Base interactions energy: -35.693
where: short stacking energy: -33.667
Base-Backbone interact. energy: 0.327
local terms energy: -50.532809
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -81.621716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.621716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.621716 (E_RNA)
where:
Base-Base interactions energy: -31.696
where: short stacking energy: -25.031
Base-Backbone interact. energy: -0.513
local terms energy: -49.412596
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -85.997482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.997482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.997482 (E_RNA)
where:
Base-Base interactions energy: -29.766
where: short stacking energy: -29.766
Base-Backbone interact. energy: -0.112
local terms energy: -56.119788
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.776
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: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -221.902485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.902485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.902485 (E_RNA)
where:
Base-Base interactions energy: -144.747
where: short stacking energy: -68.957
Base-Backbone interact. energy: -0.153
local terms energy: -77.002303
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -220.552256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.552256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.552256 (E_RNA)
where:
Base-Base interactions energy: -145.272
where: short stacking energy: -61.411
Base-Backbone interact. energy: -0.030
local terms energy: -75.250886
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -205.195146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.195146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.195146 (E_RNA)
where:
Base-Base interactions energy: -131.902
where: short stacking energy: -69.162
Base-Backbone interact. energy: -0.009
local terms energy: -73.283773
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -173.180217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.180217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.180217 (E_RNA)
where:
Base-Base interactions energy: -101.335
where: short stacking energy: -43.618
Base-Backbone interact. energy: -0.128
local terms energy: -71.716714
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -12.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -169.846658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.846658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.846658 (E_RNA)
where:
Base-Base interactions energy: -104.201
where: short stacking energy: -48.909
Base-Backbone interact. energy: -0.068
local terms energy: -65.577658
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -102.667822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.667822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.667822 (E_RNA)
where:
Base-Base interactions energy: -53.057
where: short stacking energy: -29.247
Base-Backbone interact. energy: -0.410
local terms energy: -49.201016
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: 1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -94.681339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.681339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.681339 (E_RNA)
where:
Base-Base interactions energy: -39.224
where: short stacking energy: -34.156
Base-Backbone interact. energy: -0.142
local terms energy: -55.315753
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -6.791
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: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -82.073215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.073215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.073215 (E_RNA)
where:
Base-Base interactions energy: -25.438
where: short stacking energy: -24.797
Base-Backbone interact. energy: -0.228
local terms energy: -56.407586
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -82.699833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.699833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.699833 (E_RNA)
where:
Base-Base interactions energy: -35.958
where: short stacking energy: -17.661
Base-Backbone interact. energy: -0.276
local terms energy: -46.466068
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -92.139046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.139046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.139046 (E_RNA)
where:
Base-Base interactions energy: -44.475
where: short stacking energy: -32.525
Base-Backbone interact. energy: -0.152
local terms energy: -47.512593
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -218.824341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.824341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.824341 (E_RNA)
where:
Base-Base interactions energy: -146.790
where: short stacking energy: -60.823
Base-Backbone interact. energy: -0.115
local terms energy: -71.919852
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -231.275432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.275432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.275432 (E_RNA)
where:
Base-Base interactions energy: -149.004
where: short stacking energy: -66.580
Base-Backbone interact. energy: 0.076
local terms energy: -82.346772
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -212.712439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.712439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.712439 (E_RNA)
where:
Base-Base interactions energy: -135.785
where: short stacking energy: -54.794
Base-Backbone interact. energy: -0.357
local terms energy: -76.570439
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -167.458941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.458941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.458941 (E_RNA)
where:
Base-Base interactions energy: -96.687
where: short stacking energy: -51.403
Base-Backbone interact. energy: -0.625
local terms energy: -70.147474
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -12.122
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: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -158.173146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.173146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.173146 (E_RNA)
where:
Base-Base interactions energy: -94.222
where: short stacking energy: -47.623
Base-Backbone interact. energy: -0.119
local terms energy: -63.831206
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -105.843402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.843402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.843402 (E_RNA)
where:
Base-Base interactions energy: -43.103
where: short stacking energy: -43.103
Base-Backbone interact. energy: -0.030
local terms energy: -62.709803
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -9.635
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -101.899488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.899488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.899488 (E_RNA)
where:
Base-Base interactions energy: -62.423
where: short stacking energy: -23.988
Base-Backbone interact. energy: 1.554
local terms energy: -41.030386
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -7.037
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -80.481861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.481861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.481861 (E_RNA)
where:
Base-Base interactions energy: -29.926
where: short stacking energy: -28.376
Base-Backbone interact. energy: 1.162
local terms energy: -51.718302
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -6.643
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: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -73.513427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.513427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.513427 (E_RNA)
where:
Base-Base interactions energy: -30.354
where: short stacking energy: -17.651
Base-Backbone interact. energy: -0.200
local terms energy: -42.960248
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -7.414
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: 2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -75.636781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.636781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.636781 (E_RNA)
where:
Base-Base interactions energy: -28.979
where: short stacking energy: -21.825
Base-Backbone interact. energy: 1.045
local terms energy: -47.703139
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: 3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -221.872136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.872136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.872136 (E_RNA)
where:
Base-Base interactions energy: -146.635
where: short stacking energy: -71.637
Base-Backbone interact. energy: -0.066
local terms energy: -75.171382
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -21.538
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: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -218.678422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.678422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.678422 (E_RNA)
where:
Base-Base interactions energy: -147.223
where: short stacking energy: -71.697
Base-Backbone interact. energy: -0.291
local terms energy: -71.164600
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -10.801
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -213.209862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.209862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.209862 (E_RNA)
where:
Base-Base interactions energy: -141.662
where: short stacking energy: -56.093
Base-Backbone interact. energy: -0.016
local terms energy: -71.531512
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -166.798249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.798249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.798249 (E_RNA)
where:
Base-Base interactions energy: -99.267
where: short stacking energy: -54.021
Base-Backbone interact. energy: -0.051
local terms energy: -67.481033
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -156.597195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.597195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.597195 (E_RNA)
where:
Base-Base interactions energy: -100.643
where: short stacking energy: -45.998
Base-Backbone interact. energy: -0.547
local terms energy: -55.407439
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -90.104223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.104223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.104223 (E_RNA)
where:
Base-Base interactions energy: -31.145
where: short stacking energy: -31.145
Base-Backbone interact. energy: -0.081
local terms energy: -58.877553
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -92.082761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.082761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.082761 (E_RNA)
where:
Base-Base interactions energy: -38.342
where: short stacking energy: -32.072
Base-Backbone interact. energy: -0.062
local terms energy: -53.678660
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -106.919433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.919433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.919433 (E_RNA)
where:
Base-Base interactions energy: -66.108
where: short stacking energy: -34.395
Base-Backbone interact. energy: -0.137
local terms energy: -40.674188
where:
bonds (distance) C4'-P energy: -7.230
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -79.680402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.680402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.680402 (E_RNA)
where:
Base-Base interactions energy: -32.761
where: short stacking energy: -28.440
Base-Backbone interact. energy: -0.493
local terms energy: -46.427175
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -6.781
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -103.209971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.209971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.209971 (E_RNA)
where:
Base-Base interactions energy: -48.367
where: short stacking energy: -30.851
Base-Backbone interact. energy: -0.803
local terms energy: -54.039785
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -4.773
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -4.720
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: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -227.262271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.262271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.262271 (E_RNA)
where:
Base-Base interactions energy: -152.542
where: short stacking energy: -64.629
Base-Backbone interact. energy: -0.294
local terms energy: -74.426016
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -225.689240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.689240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.689240 (E_RNA)
where:
Base-Base interactions energy: -149.964
where: short stacking energy: -74.748
Base-Backbone interact. energy: -0.650
local terms energy: -75.075889
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -213.436846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.436846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.436846 (E_RNA)
where:
Base-Base interactions energy: -144.157
where: short stacking energy: -57.729
Base-Backbone interact. energy: -1.231
local terms energy: -68.049277
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -168.793823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.793823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.793823 (E_RNA)
where:
Base-Base interactions energy: -104.153
where: short stacking energy: -40.752
Base-Backbone interact. energy: -0.104
local terms energy: -64.535991
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -168.547783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.547783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.547783 (E_RNA)
where:
Base-Base interactions energy: -107.767
where: short stacking energy: -49.492
Base-Backbone interact. energy: -0.137
local terms energy: -60.643460
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -10.527
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: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -115.448122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.448122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.448122 (E_RNA)
where:
Base-Base interactions energy: -46.684
where: short stacking energy: -35.884
Base-Backbone interact. energy: -0.002
local terms energy: -68.762537
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -9.619
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: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -89.268970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.268970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.268970 (E_RNA)
where:
Base-Base interactions energy: -34.721
where: short stacking energy: -34.485
Base-Backbone interact. energy: -0.031
local terms energy: -54.516919
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -10.176
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: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -86.882492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.882492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.882492 (E_RNA)
where:
Base-Base interactions energy: -41.915
where: short stacking energy: -34.739
Base-Backbone interact. energy: 0.972
local terms energy: -45.939433
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -9.735
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: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -74.796817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.796817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.796817 (E_RNA)
where:
Base-Base interactions energy: -28.504
where: short stacking energy: -16.379
Base-Backbone interact. energy: -0.081
local terms energy: -46.212044
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -2.276
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: 65
Temperature: 1.350000
Total energy: -84.358226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.358226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.358226 (E_RNA)
where:
Base-Base interactions energy: -35.039
where: short stacking energy: -24.396
Base-Backbone interact. energy: -0.894
local terms energy: -48.424783
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -226.677708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.677708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.677708 (E_RNA)
where:
Base-Base interactions energy: -147.660
where: short stacking energy: -65.434
Base-Backbone interact. energy: -0.001
local terms energy: -79.017120
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -22.343
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: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -217.750465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.750465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.750465 (E_RNA)
where:
Base-Base interactions energy: -148.149
where: short stacking energy: -68.199
Base-Backbone interact. energy: -0.005
local terms energy: -69.596110
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -18.534
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: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -216.805344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.805344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.805344 (E_RNA)
where:
Base-Base interactions energy: -142.326
where: short stacking energy: -70.770
Base-Backbone interact. energy: -0.038
local terms energy: -74.440860
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -177.266135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.266135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.266135 (E_RNA)
where:
Base-Base interactions energy: -112.639
where: short stacking energy: -53.496
Base-Backbone interact. energy: -0.946
local terms energy: -63.680506
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -16.842
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: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -107.129901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.129901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.129901 (E_RNA)
where:
Base-Base interactions energy: -48.963
where: short stacking energy: -42.555
Base-Backbone interact. energy: -0.122
local terms energy: -58.045254
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -7.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -155.661455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.661455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.661455 (E_RNA)
where:
Base-Base interactions energy: -101.496
where: short stacking energy: -40.673
Base-Backbone interact. energy: -0.670
local terms energy: -53.495672
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -7.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -95.502586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.502586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.502586 (E_RNA)
where:
Base-Base interactions energy: -35.112
where: short stacking energy: -35.112
Base-Backbone interact. energy: -0.101
local terms energy: -60.289415
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -5.572
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: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -81.899191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.899191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.899191 (E_RNA)
where:
Base-Base interactions energy: -33.135
where: short stacking energy: -22.853
Base-Backbone interact. energy: -0.061
local terms energy: -48.703884
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -8.029
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -10.710
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: 9, replica: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -79.265739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.265739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.265739 (E_RNA)
where:
Base-Base interactions energy: -38.169
where: short stacking energy: -24.873
Base-Backbone interact. energy: -0.104
local terms energy: -40.992497
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -70.739045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.739045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.739045 (E_RNA)
where:
Base-Base interactions energy: -28.489
where: short stacking energy: -25.847
Base-Backbone interact. energy: -0.332
local terms energy: -41.918076
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -7.321
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: 1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -228.783618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.783618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.783618 (E_RNA)
where:
Base-Base interactions energy: -152.267
where: short stacking energy: -63.862
Base-Backbone interact. energy: 0.167
local terms energy: -76.683490
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -17.055
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: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -219.827567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.827567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.827567 (E_RNA)
where:
Base-Base interactions energy: -145.700
where: short stacking energy: -64.623
Base-Backbone interact. energy: -0.058
local terms energy: -74.070511
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -214.331000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.331000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.331000 (E_RNA)
where:
Base-Base interactions energy: -137.779
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.002
local terms energy: -76.549900
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -172.454414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.454414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.454414 (E_RNA)
where:
Base-Base interactions energy: -115.665
where: short stacking energy: -57.775
Base-Backbone interact. energy: -0.584
local terms energy: -56.204771
where:
bonds (distance) C4'-P energy: -8.063
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -3.112
tors. eta vs tors. theta energy: -15.811
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: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -110.315950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.315950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.315950 (E_RNA)
where:
Base-Base interactions energy: -50.949
where: short stacking energy: -42.614
Base-Backbone interact. energy: -0.007
local terms energy: -59.360419
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -4.630
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: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -153.646445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.646445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.646445 (E_RNA)
where:
Base-Base interactions energy: -88.385
where: short stacking energy: -42.911
Base-Backbone interact. energy: -0.114
local terms energy: -65.147046
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -92.073737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.073737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.073737 (E_RNA)
where:
Base-Base interactions energy: -41.059
where: short stacking energy: -39.243
Base-Backbone interact. energy: -0.210
local terms energy: -50.805440
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -90.095833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.095833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.095833 (E_RNA)
where:
Base-Base interactions energy: -36.399
where: short stacking energy: -26.614
Base-Backbone interact. energy: -0.151
local terms energy: -53.546121
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -88.814008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.814008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.814008 (E_RNA)
where:
Base-Base interactions energy: -28.336
where: short stacking energy: -25.616
Base-Backbone interact. energy: -0.072
local terms energy: -60.405838
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -75.374855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.374855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.374855 (E_RNA)
where:
Base-Base interactions energy: -26.756
where: short stacking energy: -25.903
Base-Backbone interact. energy: -0.424
local terms energy: -48.195508
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -7.253
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -6.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -225.553572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.553572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.553572 (E_RNA)
where:
Base-Base interactions energy: -151.626
where: short stacking energy: -71.775
Base-Backbone interact. energy: -0.083
local terms energy: -73.844803
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -220.238481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.238481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.238481 (E_RNA)
where:
Base-Base interactions energy: -142.507
where: short stacking energy: -69.990
Base-Backbone interact. energy: -0.828
local terms energy: -76.903597
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -20.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -199.099459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.099459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.099459 (E_RNA)
where:
Base-Base interactions energy: -135.850
where: short stacking energy: -59.950
Base-Backbone interact. energy: -0.827
local terms energy: -62.422193
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -179.753254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.753254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.753254 (E_RNA)
where:
Base-Base interactions energy: -112.481
where: short stacking energy: -51.308
Base-Backbone interact. energy: -0.023
local terms energy: -67.249531
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -154.562352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.562352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.562352 (E_RNA)
where:
Base-Base interactions energy: -93.816
where: short stacking energy: -45.817
Base-Backbone interact. energy: 0.330
local terms energy: -61.076326
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -10.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -113.897865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.897865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.897865 (E_RNA)
where:
Base-Base interactions energy: -51.016
where: short stacking energy: -43.610
Base-Backbone interact. energy: -0.046
local terms energy: -62.835603
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -109.748010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.748010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.748010 (E_RNA)
where:
Base-Base interactions energy: -56.095
where: short stacking energy: -37.662
Base-Backbone interact. energy: -0.763
local terms energy: -52.890567
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -7.235
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: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -83.035768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.035768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.035768 (E_RNA)
where:
Base-Base interactions energy: -32.405
where: short stacking energy: -22.029
Base-Backbone interact. energy: -0.069
local terms energy: -50.561408
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -94.473610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.473610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.473610 (E_RNA)
where:
Base-Base interactions energy: -45.693
where: short stacking energy: -43.182
Base-Backbone interact. energy: -0.021
local terms energy: -48.759809
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -7.537
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -9.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -85.276355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.276355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.276355 (E_RNA)
where:
Base-Base interactions energy: -42.816
where: short stacking energy: -15.995
Base-Backbone interact. energy: 2.203
local terms energy: -44.663875
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -225.411005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.411005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.411005 (E_RNA)
where:
Base-Base interactions energy: -149.378
where: short stacking energy: -66.963
Base-Backbone interact. energy: 1.655
local terms energy: -77.687730
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -207.254881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.254881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.254881 (E_RNA)
where:
Base-Base interactions energy: -132.189
where: short stacking energy: -56.336
Base-Backbone interact. energy: -0.002
local terms energy: -75.063260
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -17.356
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: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -217.366216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.366216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.366216 (E_RNA)
where:
Base-Base interactions energy: -134.503
where: short stacking energy: -69.011
Base-Backbone interact. energy: -0.030
local terms energy: -82.833394
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -21.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -182.714706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.714706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.714706 (E_RNA)
where:
Base-Base interactions energy: -118.303
where: short stacking energy: -51.477
Base-Backbone interact. energy: -0.255
local terms energy: -64.156441
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -162.231429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.231429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.231429 (E_RNA)
where:
Base-Base interactions energy: -101.084
where: short stacking energy: -44.939
Base-Backbone interact. energy: -0.094
local terms energy: -61.053947
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -8.800
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -12.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -105.838389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.838389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.838389 (E_RNA)
where:
Base-Base interactions energy: -47.995
where: short stacking energy: -42.448
Base-Backbone interact. energy: -0.005
local terms energy: -57.838397
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -88.886733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.886733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.886733 (E_RNA)
where:
Base-Base interactions energy: -33.020
where: short stacking energy: -25.348
Base-Backbone interact. energy: -0.048
local terms energy: -55.818555
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -1.938
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: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -84.239578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.239578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.239578 (E_RNA)
where:
Base-Base interactions energy: -27.535
where: short stacking energy: -19.787
Base-Backbone interact. energy: -0.583
local terms energy: -56.120997
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -81.412448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.412448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.412448 (E_RNA)
where:
Base-Base interactions energy: -28.387
where: short stacking energy: -28.278
Base-Backbone interact. energy: -0.218
local terms energy: -52.807041
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -4.546
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -79.625727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.625727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.625727 (E_RNA)
where:
Base-Base interactions energy: -30.335
where: short stacking energy: -27.675
Base-Backbone interact. energy: 1.601
local terms energy: -50.891592
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -1.906
tors. eta vs tors. theta energy: -1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -227.886652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.886652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.886652 (E_RNA)
where:
Base-Base interactions energy: -145.561
where: short stacking energy: -60.351
Base-Backbone interact. energy: 0.239
local terms energy: -82.564781
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -213.786266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.786266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.786266 (E_RNA)
where:
Base-Base interactions energy: -141.572
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.030
local terms energy: -72.183922
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -226.334362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.334362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.334362 (E_RNA)
where:
Base-Base interactions energy: -150.268
where: short stacking energy: -63.513
Base-Backbone interact. energy: -0.631
local terms energy: -75.435726
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -17.195
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: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -169.603682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.603682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.603682 (E_RNA)
where:
Base-Base interactions energy: -105.052
where: short stacking energy: -42.089
Base-Backbone interact. energy: -0.328
local terms energy: -64.223312
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -12.588
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: 70
Temperature: 1.100000
Total energy: -165.781499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.781499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.781499 (E_RNA)
where:
Base-Base interactions energy: -94.886
where: short stacking energy: -56.622
Base-Backbone interact. energy: -0.670
local terms energy: -70.226168
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -99.671973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.671973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.671973 (E_RNA)
where:
Base-Base interactions energy: -36.623
where: short stacking energy: -33.837
Base-Backbone interact. energy: -0.113
local terms energy: -62.936046
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -101.568450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.568450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.568450 (E_RNA)
where:
Base-Base interactions energy: -55.365
where: short stacking energy: -22.446
Base-Backbone interact. energy: -0.411
local terms energy: -45.792158
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -87.913175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.913175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.913175 (E_RNA)
where:
Base-Base interactions energy: -34.046
where: short stacking energy: -29.941
Base-Backbone interact. energy: -0.333
local terms energy: -53.534513
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -79.637902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.637902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.637902 (E_RNA)
where:
Base-Base interactions energy: -34.077
where: short stacking energy: -30.193
Base-Backbone interact. energy: -0.018
local terms energy: -45.542847
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -84.458580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.458580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.458580 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -32.177
Base-Backbone interact. energy: -0.080
local terms energy: -52.201836
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -229.062817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.062817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.062817 (E_RNA)
where:
Base-Base interactions energy: -143.106
where: short stacking energy: -60.994
Base-Backbone interact. energy: -0.276
local terms energy: -85.681098
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -23.503
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: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -215.182197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.182197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.182197 (E_RNA)
where:
Base-Base interactions energy: -141.080
where: short stacking energy: -56.524
Base-Backbone interact. energy: -0.103
local terms energy: -73.999091
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -18.299
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: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -213.378718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.378718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.378718 (E_RNA)
where:
Base-Base interactions energy: -140.608
where: short stacking energy: -61.389
Base-Backbone interact. energy: -1.168
local terms energy: -71.602718
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -175.660422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.660422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.660422 (E_RNA)
where:
Base-Base interactions energy: -96.861
where: short stacking energy: -54.289
Base-Backbone interact. energy: -3.140
local terms energy: -75.659230
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -17.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -161.999402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.999402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.999402 (E_RNA)
where:
Base-Base interactions energy: -99.335
where: short stacking energy: -43.875
Base-Backbone interact. energy: -0.005
local terms energy: -62.660100
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -11.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -97.062274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.062274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.062274 (E_RNA)
where:
Base-Base interactions energy: -51.265
where: short stacking energy: -32.375
Base-Backbone interact. energy: -0.455
local terms energy: -45.342720
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -6.963
flat angles P-C4'-P energy: -2.282
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -91.488663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.488663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.488663 (E_RNA)
where:
Base-Base interactions energy: -38.580
where: short stacking energy: -38.580
Base-Backbone interact. energy: -0.094
local terms energy: -52.814249
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -9.218
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: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -86.234708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.234708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.234708 (E_RNA)
where:
Base-Base interactions energy: -31.454
where: short stacking energy: -23.550
Base-Backbone interact. energy: -0.055
local terms energy: -54.725079
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -5.865
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: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -76.470000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.470000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.470000 (E_RNA)
where:
Base-Base interactions energy: -35.453
where: short stacking energy: -24.532
Base-Backbone interact. energy: 0.637
local terms energy: -41.653503
where:
bonds (distance) C4'-P energy: -8.547
bonds (distance) P-C4' energy: -10.396
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -75.324240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.324240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.324240 (E_RNA)
where:
Base-Base interactions energy: -29.558
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.149
local terms energy: -45.617141
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -9.204
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -5.484
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: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -229.344585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.344585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.344585 (E_RNA)
where:
Base-Base interactions energy: -152.186
where: short stacking energy: -62.843
Base-Backbone interact. energy: -1.878
local terms energy: -75.280519
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -213.664512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.664512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.664512 (E_RNA)
where:
Base-Base interactions energy: -144.840
where: short stacking energy: -52.797
Base-Backbone interact. energy: 0.207
local terms energy: -69.031472
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -215.276997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.276997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.276997 (E_RNA)
where:
Base-Base interactions energy: -148.728
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.070
local terms energy: -66.478771
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -158.980194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.980194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.980194 (E_RNA)
where:
Base-Base interactions energy: -98.344
where: short stacking energy: -48.809
Base-Backbone interact. energy: -0.124
local terms energy: -60.511858
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -12.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -166.033255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.033255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.033255 (E_RNA)
where:
Base-Base interactions energy: -101.656
where: short stacking energy: -47.270
Base-Backbone interact. energy: -0.085
local terms energy: -64.292182
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -116.721080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.721080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.721080 (E_RNA)
where:
Base-Base interactions energy: -56.315
where: short stacking energy: -39.277
Base-Backbone interact. energy: -0.595
local terms energy: -59.810601
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -87.915371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.915371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.915371 (E_RNA)
where:
Base-Base interactions energy: -32.884
where: short stacking energy: -32.884
Base-Backbone interact. energy: -0.073
local terms energy: -54.957418
where:
bonds (distance) C4'-P energy: -7.144
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -12.085
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: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -104.220726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.220726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.220726 (E_RNA)
where:
Base-Base interactions energy: -47.896
where: short stacking energy: -34.258
Base-Backbone interact. energy: -0.218
local terms energy: -56.106243
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -8.721
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: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -74.010537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.010537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.010537 (E_RNA)
where:
Base-Base interactions energy: -29.062
where: short stacking energy: -29.062
Base-Backbone interact. energy: -0.228
local terms energy: -44.720658
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -6.466
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: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -77.689924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.689924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.689924 (E_RNA)
where:
Base-Base interactions energy: -29.804
where: short stacking energy: -19.309
Base-Backbone interact. energy: -0.289
local terms energy: -47.596349
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -2.967
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -225.202312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.202312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.202312 (E_RNA)
where:
Base-Base interactions energy: -151.392
where: short stacking energy: -67.392
Base-Backbone interact. energy: -0.358
local terms energy: -73.452353
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -17.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -221.032966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.032966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.032966 (E_RNA)
where:
Base-Base interactions energy: -153.029
where: short stacking energy: -49.493
Base-Backbone interact. energy: -0.012
local terms energy: -67.991937
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -206.141696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.141696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.141696 (E_RNA)
where:
Base-Base interactions energy: -130.413
where: short stacking energy: -53.670
Base-Backbone interact. energy: -0.486
local terms energy: -75.242734
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -16.821
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: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -176.934972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.934972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.934972 (E_RNA)
where:
Base-Base interactions energy: -108.169
where: short stacking energy: -60.939
Base-Backbone interact. energy: -0.066
local terms energy: -68.699888
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -19.048
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: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -153.826509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.826509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.826509 (E_RNA)
where:
Base-Base interactions energy: -94.358
where: short stacking energy: -44.616
Base-Backbone interact. energy: -0.129
local terms energy: -59.340018
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -8.153
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: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -105.650057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.650057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.650057 (E_RNA)
where:
Base-Base interactions energy: -48.308
where: short stacking energy: -46.514
Base-Backbone interact. energy: -0.001
local terms energy: -57.340878
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -129.324180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.324180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.324180 (E_RNA)
where:
Base-Base interactions energy: -76.388
where: short stacking energy: -38.494
Base-Backbone interact. energy: 0.904
local terms energy: -53.839673
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -7.545
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: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -91.312675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.312675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.312675 (E_RNA)
where:
Base-Base interactions energy: -35.784
where: short stacking energy: -35.784
Base-Backbone interact. energy: -0.246
local terms energy: -55.282061
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -84.150558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.150558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.150558 (E_RNA)
where:
Base-Base interactions energy: -39.438
where: short stacking energy: -16.336
Base-Backbone interact. energy: -0.431
local terms energy: -44.282200
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: 3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -84.374401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.374401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.374401 (E_RNA)
where:
Base-Base interactions energy: -30.128
where: short stacking energy: -30.128
Base-Backbone interact. energy: -0.312
local terms energy: -53.935099
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -7.954
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: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -222.250653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.250653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.250653 (E_RNA)
where:
Base-Base interactions energy: -150.603
where: short stacking energy: -60.306
Base-Backbone interact. energy: -0.340
local terms energy: -71.307418
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -213.209611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.209611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.209611 (E_RNA)
where:
Base-Base interactions energy: -140.958
where: short stacking energy: -59.159
Base-Backbone interact. energy: -0.010
local terms energy: -72.241796
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -219.289408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.289408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.289408 (E_RNA)
where:
Base-Base interactions energy: -146.968
where: short stacking energy: -63.770
Base-Backbone interact. energy: -0.018
local terms energy: -72.303728
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -165.517586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.517586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.517586 (E_RNA)
where:
Base-Base interactions energy: -106.046
where: short stacking energy: -37.038
Base-Backbone interact. energy: -0.561
local terms energy: -58.909724
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -9.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -165.485015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.485015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.485015 (E_RNA)
where:
Base-Base interactions energy: -101.849
where: short stacking energy: -44.410
Base-Backbone interact. energy: -0.095
local terms energy: -63.540596
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -103.159203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.159203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.159203 (E_RNA)
where:
Base-Base interactions energy: -47.485
where: short stacking energy: -47.485
Base-Backbone interact. energy: -0.087
local terms energy: -55.587298
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -6.833
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -95.466191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.466191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.466191 (E_RNA)
where:
Base-Base interactions energy: -51.675
where: short stacking energy: -31.962
Base-Backbone interact. energy: -0.113
local terms energy: -43.677994
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -122.421487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.421487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.421487 (E_RNA)
where:
Base-Base interactions energy: -67.252
where: short stacking energy: -40.982
Base-Backbone interact. energy: -0.025
local terms energy: -55.143918
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -8.126
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: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -87.937735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.937735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.937735 (E_RNA)
where:
Base-Base interactions energy: -36.622
where: short stacking energy: -31.086
Base-Backbone interact. energy: -0.057
local terms energy: -51.259509
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -8.597
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: 10, replica: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -77.202868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.202868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.202868 (E_RNA)
where:
Base-Base interactions energy: -32.182
where: short stacking energy: -19.027
Base-Backbone interact. energy: -1.426
local terms energy: -43.594744
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: 2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -227.555853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.555853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.555853 (E_RNA)
where:
Base-Base interactions energy: -156.122
where: short stacking energy: -63.467
Base-Backbone interact. energy: -0.577
local terms energy: -70.856601
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -17.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -221.426195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.426195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.426195 (E_RNA)
where:
Base-Base interactions energy: -148.292
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.128
local terms energy: -73.007060
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -216.800190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.800190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.800190 (E_RNA)
where:
Base-Base interactions energy: -152.442
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.067
local terms energy: -64.290902
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -10.142
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -171.644361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.644361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.644361 (E_RNA)
where:
Base-Base interactions energy: -107.459
where: short stacking energy: -52.570
Base-Backbone interact. energy: -0.121
local terms energy: -64.063982
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -4.078
tors. eta vs tors. theta energy: -16.084
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: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -164.898090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.898090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.898090 (E_RNA)
where:
Base-Base interactions energy: -107.920
where: short stacking energy: -42.595
Base-Backbone interact. energy: 0.061
local terms energy: -57.038881
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -8.925
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -8.632
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: 6, replica: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -90.377569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.377569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.377569 (E_RNA)
where:
Base-Base interactions energy: -39.614
where: short stacking energy: -36.688
Base-Backbone interact. energy: -0.455
local terms energy: -50.308706
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -8.238
flat angles P-C4'-P energy: -6.029
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: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -91.823136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.823136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.823136 (E_RNA)
where:
Base-Base interactions energy: -41.660
where: short stacking energy: -40.870
Base-Backbone interact. energy: -0.045
local terms energy: -50.118602
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -8.512
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: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -84.529656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.529656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.529656 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -33.171
Base-Backbone interact. energy: 0.484
local terms energy: -50.538373
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -6.138
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: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -78.555785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.555785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.555785 (E_RNA)
where:
Base-Base interactions energy: -22.855
where: short stacking energy: -19.502
Base-Backbone interact. energy: 0.608
local terms energy: -56.308398
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -98.890208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.890208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.890208 (E_RNA)
where:
Base-Base interactions energy: -52.267
where: short stacking energy: -23.636
Base-Backbone interact. energy: -0.123
local terms energy: -46.500200
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -235.368883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.368883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.368883 (E_RNA)
where:
Base-Base interactions energy: -164.688
where: short stacking energy: -55.321
Base-Backbone interact. energy: -0.236
local terms energy: -70.444939
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -17.132
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: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -222.138169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.138169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.138169 (E_RNA)
where:
Base-Base interactions energy: -148.900
where: short stacking energy: -61.145
Base-Backbone interact. energy: -0.013
local terms energy: -73.224479
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -18.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -212.979831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.979831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.979831 (E_RNA)
where:
Base-Base interactions energy: -147.038
where: short stacking energy: -60.661
Base-Backbone interact. energy: -0.012
local terms energy: -65.930532
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -161.949342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.949342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.949342 (E_RNA)
where:
Base-Base interactions energy: -99.595
where: short stacking energy: -54.870
Base-Backbone interact. energy: -0.195
local terms energy: -62.159150
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -13.397
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: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -147.091153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.091153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.091153 (E_RNA)
where:
Base-Base interactions energy: -88.843
where: short stacking energy: -40.485
Base-Backbone interact. energy: -0.172
local terms energy: -58.076242
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -105.634875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.634875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.634875 (E_RNA)
where:
Base-Base interactions energy: -41.910
where: short stacking energy: -38.213
Base-Backbone interact. energy: -0.206
local terms energy: -63.518805
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -6.956
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: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -86.358844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.358844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.358844 (E_RNA)
where:
Base-Base interactions energy: -28.728
where: short stacking energy: -23.383
Base-Backbone interact. energy: -0.244
local terms energy: -57.386320
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -11.227
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: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -83.031157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.031157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.031157 (E_RNA)
where:
Base-Base interactions energy: -29.612
where: short stacking energy: -29.097
Base-Backbone interact. energy: -0.395
local terms energy: -53.023786
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -88.809261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.809261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.809261 (E_RNA)
where:
Base-Base interactions energy: -36.933
where: short stacking energy: -32.877
Base-Backbone interact. energy: -0.012
local terms energy: -51.864218
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: -5.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -73.541153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.541153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.541153 (E_RNA)
where:
Base-Base interactions energy: -27.864
where: short stacking energy: -21.711
Base-Backbone interact. energy: -0.492
local terms energy: -45.185457
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -6.356
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: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -223.067748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.067748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.067748 (E_RNA)
where:
Base-Base interactions energy: -155.283
where: short stacking energy: -51.856
Base-Backbone interact. energy: 0.818
local terms energy: -68.602725
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -214.369402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.369402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.369402 (E_RNA)
where:
Base-Base interactions energy: -142.306
where: short stacking energy: -63.911
Base-Backbone interact. energy: -0.599
local terms energy: -71.464764
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -203.661831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.661831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.661831 (E_RNA)
where:
Base-Base interactions energy: -133.767
where: short stacking energy: -52.599
Base-Backbone interact. energy: -0.119
local terms energy: -69.775486
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -10.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -173.271380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.271380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.271380 (E_RNA)
where:
Base-Base interactions energy: -109.693
where: short stacking energy: -56.276
Base-Backbone interact. energy: -0.141
local terms energy: -63.437488
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -1.059
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -156.575984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.575984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.575984 (E_RNA)
where:
Base-Base interactions energy: -98.657
where: short stacking energy: -46.285
Base-Backbone interact. energy: -0.344
local terms energy: -57.575536
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -108.879591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.879591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.879591 (E_RNA)
where:
Base-Base interactions energy: -49.482
where: short stacking energy: -28.107
Base-Backbone interact. energy: -0.042
local terms energy: -59.355218
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -89.279801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.279801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.279801 (E_RNA)
where:
Base-Base interactions energy: -38.682
where: short stacking energy: -38.682
Base-Backbone interact. energy: -0.027
local terms energy: -50.570750
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -4.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -86.652306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.652306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.652306 (E_RNA)
where:
Base-Base interactions energy: -31.386
where: short stacking energy: -26.431
Base-Backbone interact. energy: -0.011
local terms energy: -55.255164
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -8.603
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -78.358098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.358098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.358098 (E_RNA)
where:
Base-Base interactions energy: -27.847
where: short stacking energy: -25.295
Base-Backbone interact. energy: -0.860
local terms energy: -49.651056
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -71.964379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.964379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.964379 (E_RNA)
where:
Base-Base interactions energy: -22.290
where: short stacking energy: -19.144
Base-Backbone interact. energy: 0.074
local terms energy: -49.748984
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: 3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -219.859565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.859565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.859565 (E_RNA)
where:
Base-Base interactions energy: -143.367
where: short stacking energy: -64.113
Base-Backbone interact. energy: -0.417
local terms energy: -76.074976
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -228.042465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.042465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.042465 (E_RNA)
where:
Base-Base interactions energy: -153.574
where: short stacking energy: -54.091
Base-Backbone interact. energy: -0.368
local terms energy: -74.100402
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -197.366761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.366761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.366761 (E_RNA)
where:
Base-Base interactions energy: -138.588
where: short stacking energy: -52.199
Base-Backbone interact. energy: -0.164
local terms energy: -58.614879
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -12.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -186.935567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.935567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.935567 (E_RNA)
where:
Base-Base interactions energy: -119.912
where: short stacking energy: -53.078
Base-Backbone interact. energy: -0.762
local terms energy: -66.261232
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -144.149333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.149333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.149333 (E_RNA)
where:
Base-Base interactions energy: -92.924
where: short stacking energy: -39.476
Base-Backbone interact. energy: 1.712
local terms energy: -52.937009
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -96.774649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.774649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.774649 (E_RNA)
where:
Base-Base interactions energy: -35.965
where: short stacking energy: -34.351
Base-Backbone interact. energy: -0.272
local terms energy: -60.537227
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -12.358
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: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -92.797106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.797106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.797106 (E_RNA)
where:
Base-Base interactions energy: -41.504
where: short stacking energy: -28.084
Base-Backbone interact. energy: -0.651
local terms energy: -50.641510
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -0.379
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: 78
Temperature: 1.250000
Total energy: -81.314457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.314457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.314457 (E_RNA)
where:
Base-Base interactions energy: -24.481
where: short stacking energy: -17.053
Base-Backbone interact. energy: -0.271
local terms energy: -56.562583
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: 0.069
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: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -93.263485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.263485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.263485 (E_RNA)
where:
Base-Base interactions energy: -32.702
where: short stacking energy: -29.264
Base-Backbone interact. energy: -0.030
local terms energy: -60.531592
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -80.364193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.364193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.364193 (E_RNA)
where:
Base-Base interactions energy: -25.015
where: short stacking energy: -25.015
Base-Backbone interact. energy: -0.139
local terms energy: -55.209813
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -232.091395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.091395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.091395 (E_RNA)
where:
Base-Base interactions energy: -156.579
where: short stacking energy: -60.114
Base-Backbone interact. energy: -0.001
local terms energy: -75.511517
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -221.637934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.637934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.637934 (E_RNA)
where:
Base-Base interactions energy: -150.010
where: short stacking energy: -52.173
Base-Backbone interact. energy: -0.032
local terms energy: -71.596388
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -10.265
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: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -228.586667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.586667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.586667 (E_RNA)
where:
Base-Base interactions energy: -152.641
where: short stacking energy: -63.851
Base-Backbone interact. energy: -0.521
local terms energy: -75.424251
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -178.339172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.339172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.339172 (E_RNA)
where:
Base-Base interactions energy: -112.009
where: short stacking energy: -49.678
Base-Backbone interact. energy: -0.190
local terms energy: -66.140017
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -161.699657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.699657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.699657 (E_RNA)
where:
Base-Base interactions energy: -101.931
where: short stacking energy: -48.069
Base-Backbone interact. energy: 0.431
local terms energy: -60.200322
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -9.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -98.514771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.514771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.514771 (E_RNA)
where:
Base-Base interactions energy: -35.783
where: short stacking energy: -35.057
Base-Backbone interact. energy: -0.049
local terms energy: -62.682839
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -12.234
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: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -87.017950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.017950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.017950 (E_RNA)
where:
Base-Base interactions energy: -45.505
where: short stacking energy: -29.412
Base-Backbone interact. energy: -0.370
local terms energy: -41.143523
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -9.635
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: 0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -91.396885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.396885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.396885 (E_RNA)
where:
Base-Base interactions energy: -40.103
where: short stacking energy: -18.431
Base-Backbone interact. energy: -0.185
local terms energy: -51.109374
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -81.205638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.205638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.205638 (E_RNA)
where:
Base-Base interactions energy: -29.153
where: short stacking energy: -16.982
Base-Backbone interact. energy: -0.307
local terms energy: -51.746284
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -76.580681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.580681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.580681 (E_RNA)
where:
Base-Base interactions energy: -24.138
where: short stacking energy: -23.510
Base-Backbone interact. energy: -0.562
local terms energy: -51.881135
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: 1.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -224.449273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.449273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.449273 (E_RNA)
where:
Base-Base interactions energy: -153.689
where: short stacking energy: -60.730
Base-Backbone interact. energy: -0.474
local terms energy: -70.286366
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -17.269
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: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -209.501963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.501963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.501963 (E_RNA)
where:
Base-Base interactions energy: -137.834
where: short stacking energy: -57.391
Base-Backbone interact. energy: -0.019
local terms energy: -71.649029
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -188.876835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.876835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.876835 (E_RNA)
where:
Base-Base interactions energy: -129.100
where: short stacking energy: -58.371
Base-Backbone interact. energy: -0.155
local terms energy: -59.621713
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -19.048
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: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -211.023234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.023234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.023234 (E_RNA)
where:
Base-Base interactions energy: -144.766
where: short stacking energy: -55.305
Base-Backbone interact. energy: -0.045
local terms energy: -66.212318
where:
bonds (distance) C4'-P energy: -9.819
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -17.950
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: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -168.113728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.113728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.113728 (E_RNA)
where:
Base-Base interactions energy: -110.899
where: short stacking energy: -48.897
Base-Backbone interact. energy: -0.555
local terms energy: -56.659781
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -10.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -86.649163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.649163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.649163 (E_RNA)
where:
Base-Base interactions energy: -33.309
where: short stacking energy: -28.381
Base-Backbone interact. energy: -0.047
local terms energy: -53.292795
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -5.845
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: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -89.891431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.891431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.891431 (E_RNA)
where:
Base-Base interactions energy: -37.347
where: short stacking energy: -33.283
Base-Backbone interact. energy: 0.715
local terms energy: -53.260074
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -10.561
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: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -87.404945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.404945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.404945 (E_RNA)
where:
Base-Base interactions energy: -24.817
where: short stacking energy: -24.711
Base-Backbone interact. energy: 2.100
local terms energy: -64.688623
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -9.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -77.662601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.662601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.662601 (E_RNA)
where:
Base-Base interactions energy: -26.254
where: short stacking energy: -22.645
Base-Backbone interact. energy: -0.060
local terms energy: -51.348570
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -84.989291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.989291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.989291 (E_RNA)
where:
Base-Base interactions energy: -39.480
where: short stacking energy: -27.560
Base-Backbone interact. energy: -0.081
local terms energy: -45.428727
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -222.942272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.942272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.942272 (E_RNA)
where:
Base-Base interactions energy: -150.857
where: short stacking energy: -57.409
Base-Backbone interact. energy: 0.163
local terms energy: -72.248158
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -208.256544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.256544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.256544 (E_RNA)
where:
Base-Base interactions energy: -125.892
where: short stacking energy: -58.524
Base-Backbone interact. energy: -0.929
local terms energy: -81.436133
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -177.063811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.063811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.063811 (E_RNA)
where:
Base-Base interactions energy: -119.807
where: short stacking energy: -55.952
Base-Backbone interact. energy: 0.491
local terms energy: -57.748025
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -207.429343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.429343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.429343 (E_RNA)
where:
Base-Base interactions energy: -142.972
where: short stacking energy: -46.966
Base-Backbone interact. energy: -0.034
local terms energy: -64.422510
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -7.031
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -157.550022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.550022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.550022 (E_RNA)
where:
Base-Base interactions energy: -96.311
where: short stacking energy: -45.240
Base-Backbone interact. energy: 0.706
local terms energy: -61.944784
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -8.322
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: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -94.688859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.688859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.688859 (E_RNA)
where:
Base-Base interactions energy: -38.088
where: short stacking energy: -38.088
Base-Backbone interact. energy: -0.146
local terms energy: -56.454303
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -8.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -84.431834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.431834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.431834 (E_RNA)
where:
Base-Base interactions energy: -36.879
where: short stacking energy: -32.330
Base-Backbone interact. energy: -0.516
local terms energy: -47.036187
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -9.795
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -5.298
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: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -80.893455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.893455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.893455 (E_RNA)
where:
Base-Base interactions energy: -29.303
where: short stacking energy: -16.129
Base-Backbone interact. energy: -0.586
local terms energy: -51.004382
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -83.577109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.577109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.577109 (E_RNA)
where:
Base-Base interactions energy: -26.802
where: short stacking energy: -26.802
Base-Backbone interact. energy: -0.032
local terms energy: -56.743136
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -1.516
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: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -80.848978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.848978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.848978 (E_RNA)
where:
Base-Base interactions energy: -29.562
where: short stacking energy: -27.430
Base-Backbone interact. energy: 0.291
local terms energy: -51.578357
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -217.556108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.556108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.556108 (E_RNA)
where:
Base-Base interactions energy: -141.897
where: short stacking energy: -67.036
Base-Backbone interact. energy: -0.747
local terms energy: -74.912059
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -226.075688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.075688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.075688 (E_RNA)
where:
Base-Base interactions energy: -151.527
where: short stacking energy: -61.248
Base-Backbone interact. energy: 0.100
local terms energy: -74.648512
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -17.497
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: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -217.503880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.503880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.503880 (E_RNA)
where:
Base-Base interactions energy: -148.860
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.559
local terms energy: -68.084749
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -178.377966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.377966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.377966 (E_RNA)
where:
Base-Base interactions energy: -119.733
where: short stacking energy: -49.658
Base-Backbone interact. energy: -0.417
local terms energy: -58.227841
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -156.404191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.404191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.404191 (E_RNA)
where:
Base-Base interactions energy: -86.910
where: short stacking energy: -57.152
Base-Backbone interact. energy: -0.010
local terms energy: -69.484326
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -15.621
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: 82
Temperature: 1.150000
Total energy: -100.223110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.223110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.223110 (E_RNA)
where:
Base-Base interactions energy: -42.414
where: short stacking energy: -40.289
Base-Backbone interact. energy: -0.678
local terms energy: -57.130811
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -8.560
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -7.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -93.156904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.156904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.156904 (E_RNA)
where:
Base-Base interactions energy: -45.809
where: short stacking energy: -29.048
Base-Backbone interact. energy: 1.007
local terms energy: -48.354200
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -85.499364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.499364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.499364 (E_RNA)
where:
Base-Base interactions energy: -30.261
where: short stacking energy: -25.012
Base-Backbone interact. energy: -0.221
local terms energy: -55.017952
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -81.559050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.559050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.559050 (E_RNA)
where:
Base-Base interactions energy: -29.874
where: short stacking energy: -29.874
Base-Backbone interact. energy: -0.137
local terms energy: -51.548311
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: 1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -86.842590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.842590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.842590 (E_RNA)
where:
Base-Base interactions energy: -33.101
where: short stacking energy: -24.577
Base-Backbone interact. energy: 1.251
local terms energy: -54.992669
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: 0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -221.014995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.014995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.014995 (E_RNA)
where:
Base-Base interactions energy: -150.128
where: short stacking energy: -53.099
Base-Backbone interact. energy: 2.046
local terms energy: -72.932428
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -17.136
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: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -223.546583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.546583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.546583 (E_RNA)
where:
Base-Base interactions energy: -147.793
where: short stacking energy: -61.153
Base-Backbone interact. energy: -0.072
local terms energy: -75.681855
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -18.287
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: 83
Temperature: 1.000000
Total energy: -216.857275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.857275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.857275 (E_RNA)
where:
Base-Base interactions energy: -144.652
where: short stacking energy: -60.410
Base-Backbone interact. energy: -0.023
local terms energy: -72.182538
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -178.159385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.159385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.159385 (E_RNA)
where:
Base-Base interactions energy: -107.955
where: short stacking energy: -53.315
Base-Backbone interact. energy: -0.626
local terms energy: -69.579079
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -153.921031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.921031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.921031 (E_RNA)
where:
Base-Base interactions energy: -90.938
where: short stacking energy: -46.005
Base-Backbone interact. energy: -0.070
local terms energy: -62.912923
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -13.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -98.076190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.076190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.076190 (E_RNA)
where:
Base-Base interactions energy: -41.379
where: short stacking energy: -41.081
Base-Backbone interact. energy: -0.107
local terms energy: -56.590202
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -92.599811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.599811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.599811 (E_RNA)
where:
Base-Base interactions energy: -49.073
where: short stacking energy: -32.649
Base-Backbone interact. energy: -1.198
local terms energy: -42.328570
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -90.308863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.308863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.308863 (E_RNA)
where:
Base-Base interactions energy: -37.278
where: short stacking energy: -25.107
Base-Backbone interact. energy: -0.033
local terms energy: -52.997712
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -82.621384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.621384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.621384 (E_RNA)
where:
Base-Base interactions energy: -33.728
where: short stacking energy: -26.400
Base-Backbone interact. energy: -0.123
local terms energy: -48.771254
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -68.338517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.338517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.338517 (E_RNA)
where:
Base-Base interactions energy: -18.403
where: short stacking energy: -17.106
Base-Backbone interact. energy: -0.168
local terms energy: -49.767451
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: 0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -217.697197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.697197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.697197 (E_RNA)
where:
Base-Base interactions energy: -144.992
where: short stacking energy: -64.807
Base-Backbone interact. energy: -0.068
local terms energy: -72.636506
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -19.099
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: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -214.146562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.146562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.146562 (E_RNA)
where:
Base-Base interactions energy: -144.447
where: short stacking energy: -61.038
Base-Backbone interact. energy: -0.641
local terms energy: -69.058453
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -209.980826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.980826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.980826 (E_RNA)
where:
Base-Base interactions energy: -140.872
where: short stacking energy: -62.762
Base-Backbone interact. energy: -0.162
local terms energy: -68.946236
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -179.863550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.863550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.863550 (E_RNA)
where:
Base-Base interactions energy: -106.657
where: short stacking energy: -52.814
Base-Backbone interact. energy: -0.055
local terms energy: -73.151485
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -166.386157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.386157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.386157 (E_RNA)
where:
Base-Base interactions energy: -102.751
where: short stacking energy: -40.839
Base-Backbone interact. energy: -0.186
local terms energy: -63.449267
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -10.834
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: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -106.758119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.758119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.758119 (E_RNA)
where:
Base-Base interactions energy: -48.411
where: short stacking energy: -43.831
Base-Backbone interact. energy: -0.012
local terms energy: -58.334690
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -114.151767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.151767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.151767 (E_RNA)
where:
Base-Base interactions energy: -54.233
where: short stacking energy: -34.328
Base-Backbone interact. energy: -0.361
local terms energy: -59.557185
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -96.349731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.349731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.349731 (E_RNA)
where:
Base-Base interactions energy: -49.656
where: short stacking energy: -31.719
Base-Backbone interact. energy: -0.238
local terms energy: -46.455882
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -2.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -81.929617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.929617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.929617 (E_RNA)
where:
Base-Base interactions energy: -36.807
where: short stacking energy: -29.436
Base-Backbone interact. energy: 3.632
local terms energy: -48.753765
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -3.258
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -78.371001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.371001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.371001 (E_RNA)
where:
Base-Base interactions energy: -37.176
where: short stacking energy: -29.186
Base-Backbone interact. energy: -0.215
local terms energy: -40.979995
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -6.456
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -221.849602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.849602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.849602 (E_RNA)
where:
Base-Base interactions energy: -145.155
where: short stacking energy: -64.589
Base-Backbone interact. energy: -0.383
local terms energy: -76.311895
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -206.558849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.558849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.558849 (E_RNA)
where:
Base-Base interactions energy: -132.139
where: short stacking energy: -62.377
Base-Backbone interact. energy: -0.093
local terms energy: -74.326763
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -214.941405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.941405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.941405 (E_RNA)
where:
Base-Base interactions energy: -141.222
where: short stacking energy: -62.497
Base-Backbone interact. energy: -0.003
local terms energy: -73.716370
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -187.801846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.801846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.801846 (E_RNA)
where:
Base-Base interactions energy: -120.820
where: short stacking energy: -55.724
Base-Backbone interact. energy: -0.017
local terms energy: -66.965390
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -162.731321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.731321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.731321 (E_RNA)
where:
Base-Base interactions energy: -105.564
where: short stacking energy: -47.477
Base-Backbone interact. energy: -0.734
local terms energy: -56.434161
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -108.980689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.980689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.980689 (E_RNA)
where:
Base-Base interactions energy: -45.770
where: short stacking energy: -43.356
Base-Backbone interact. energy: -0.636
local terms energy: -62.574918
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -10.658
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: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -98.041896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.041896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.041896 (E_RNA)
where:
Base-Base interactions energy: -53.611
where: short stacking energy: -33.627
Base-Backbone interact. energy: -0.199
local terms energy: -44.231104
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -107.708380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.708380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.708380 (E_RNA)
where:
Base-Base interactions energy: -61.043
where: short stacking energy: -35.421
Base-Backbone interact. energy: -0.085
local terms energy: -46.580627
where:
bonds (distance) C4'-P energy: -6.627
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -81.586063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.586063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.586063 (E_RNA)
where:
Base-Base interactions energy: -32.517
where: short stacking energy: -25.264
Base-Backbone interact. energy: -1.076
local terms energy: -47.993159
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -6.013
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: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -75.797294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.797294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.797294 (E_RNA)
where:
Base-Base interactions energy: -34.044
where: short stacking energy: -34.044
Base-Backbone interact. energy: -0.176
local terms energy: -41.576972
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -10.776
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -7.522
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: 86
Temperature: 0.900000
Total energy: -221.240810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.240810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.240810 (E_RNA)
where:
Base-Base interactions energy: -142.078
where: short stacking energy: -61.889
Base-Backbone interact. energy: -0.027
local terms energy: -79.136328
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -213.334748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.334748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.334748 (E_RNA)
where:
Base-Base interactions energy: -135.263
where: short stacking energy: -55.919
Base-Backbone interact. energy: -0.002
local terms energy: -78.069300
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -222.644971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.644971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.644971 (E_RNA)
where:
Base-Base interactions energy: -145.948
where: short stacking energy: -70.614
Base-Backbone interact. energy: 1.129
local terms energy: -77.825691
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -172.394887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.394887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.394887 (E_RNA)
where:
Base-Base interactions energy: -104.669
where: short stacking energy: -51.824
Base-Backbone interact. energy: -0.004
local terms energy: -67.721526
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -12.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -150.228560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.228560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.228560 (E_RNA)
where:
Base-Base interactions energy: -95.590
where: short stacking energy: -39.705
Base-Backbone interact. energy: -0.745
local terms energy: -53.893612
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -9.270
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: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -97.809234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.809234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.809234 (E_RNA)
where:
Base-Base interactions energy: -45.408
where: short stacking energy: -35.215
Base-Backbone interact. energy: -0.077
local terms energy: -52.324907
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -132.435185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.435185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.435185 (E_RNA)
where:
Base-Base interactions energy: -74.162
where: short stacking energy: -33.914
Base-Backbone interact. energy: -0.189
local terms energy: -58.084353
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -8.172
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: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -99.342386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.342386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.342386 (E_RNA)
where:
Base-Base interactions energy: -38.395
where: short stacking energy: -30.926
Base-Backbone interact. energy: 0.076
local terms energy: -61.023932
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -10.420
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: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -86.357611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.357611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.357611 (E_RNA)
where:
Base-Base interactions energy: -35.398
where: short stacking energy: -34.505
Base-Backbone interact. energy: -0.197
local terms energy: -50.762822
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -1.073
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: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -77.495291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.495291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.495291 (E_RNA)
where:
Base-Base interactions energy: -33.944
where: short stacking energy: -30.618
Base-Backbone interact. energy: -0.216
local terms energy: -43.335509
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: 2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -222.191535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.191535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.191535 (E_RNA)
where:
Base-Base interactions energy: -143.547
where: short stacking energy: -66.957
Base-Backbone interact. energy: 0.248
local terms energy: -78.893121
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -215.170434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.170434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.170434 (E_RNA)
where:
Base-Base interactions energy: -141.588
where: short stacking energy: -67.306
Base-Backbone interact. energy: -0.249
local terms energy: -73.332961
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -22.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -205.459718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.459718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.459718 (E_RNA)
where:
Base-Base interactions energy: -139.158
where: short stacking energy: -64.065
Base-Backbone interact. energy: -0.596
local terms energy: -65.704961
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -17.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -151.698080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.698080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.698080 (E_RNA)
where:
Base-Base interactions energy: -100.689
where: short stacking energy: -37.517
Base-Backbone interact. energy: -0.349
local terms energy: -50.660355
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -179.076314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.076314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.076314 (E_RNA)
where:
Base-Base interactions energy: -110.785
where: short stacking energy: -45.700
Base-Backbone interact. energy: -0.067
local terms energy: -68.224152
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -136.662201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.662201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.662201 (E_RNA)
where:
Base-Base interactions energy: -79.299
where: short stacking energy: -34.960
Base-Backbone interact. energy: -0.539
local terms energy: -56.823635
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -7.402
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: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -96.272110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.272110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.272110 (E_RNA)
where:
Base-Base interactions energy: -41.015
where: short stacking energy: -22.024
Base-Backbone interact. energy: -0.231
local terms energy: -55.026583
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -95.888440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.888440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.888440 (E_RNA)
where:
Base-Base interactions energy: -35.581
where: short stacking energy: -30.083
Base-Backbone interact. energy: -0.281
local terms energy: -60.027080
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -78.733823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.733823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.733823 (E_RNA)
where:
Base-Base interactions energy: -25.368
where: short stacking energy: -21.286
Base-Backbone interact. energy: -0.087
local terms energy: -53.278864
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -79.045091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.045091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.045091 (E_RNA)
where:
Base-Base interactions energy: -36.071
where: short stacking energy: -24.112
Base-Backbone interact. energy: -0.244
local terms energy: -42.730949
where:
bonds (distance) C4'-P energy: -7.305
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -221.047792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.047792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.047792 (E_RNA)
where:
Base-Base interactions energy: -145.572
where: short stacking energy: -58.273
Base-Backbone interact. energy: -0.097
local terms energy: -75.378636
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -206.405448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.405448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.405448 (E_RNA)
where:
Base-Base interactions energy: -135.257
where: short stacking energy: -67.443
Base-Backbone interact. energy: -0.023
local terms energy: -71.125337
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -216.210072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.210072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.210072 (E_RNA)
where:
Base-Base interactions energy: -138.339
where: short stacking energy: -64.244
Base-Backbone interact. energy: -0.011
local terms energy: -77.859993
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -21.575
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: 88
Temperature: 1.050000
Total energy: -183.900071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.900071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.900071 (E_RNA)
where:
Base-Base interactions energy: -114.254
where: short stacking energy: -57.556
Base-Backbone interact. energy: -0.078
local terms energy: -69.568077
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -17.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -160.057862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.057862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.057862 (E_RNA)
where:
Base-Base interactions energy: -95.200
where: short stacking energy: -41.881
Base-Backbone interact. energy: 0.279
local terms energy: -65.137659
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -157.678399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.678399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.678399 (E_RNA)
where:
Base-Base interactions energy: -93.410
where: short stacking energy: -36.358
Base-Backbone interact. energy: -0.105
local terms energy: -64.163729
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -14.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -92.580388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.580388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.580388 (E_RNA)
where:
Base-Base interactions energy: -38.598
where: short stacking energy: -31.220
Base-Backbone interact. energy: -0.853
local terms energy: -53.128463
where:
bonds (distance) C4'-P energy: -8.328
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -79.086420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.086420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.086420 (E_RNA)
where:
Base-Base interactions energy: -28.981
where: short stacking energy: -26.748
Base-Backbone interact. energy: -0.301
local terms energy: -49.805062
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -75.468229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.468229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.468229 (E_RNA)
where:
Base-Base interactions energy: -30.962
where: short stacking energy: -26.133
Base-Backbone interact. energy: -0.306
local terms energy: -44.200156
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -8.655
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: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -76.652530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.652530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.652530 (E_RNA)
where:
Base-Base interactions energy: -22.970
where: short stacking energy: -22.970
Base-Backbone interact. energy: -0.048
local terms energy: -53.634313
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -216.879213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.879213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.879213 (E_RNA)
where:
Base-Base interactions energy: -137.720
where: short stacking energy: -67.680
Base-Backbone interact. energy: -0.065
local terms energy: -79.093837
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -218.976478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.976478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.976478 (E_RNA)
where:
Base-Base interactions energy: -144.501
where: short stacking energy: -66.457
Base-Backbone interact. energy: -1.409
local terms energy: -73.066524
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -203.637583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.637583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.637583 (E_RNA)
where:
Base-Base interactions energy: -134.008
where: short stacking energy: -49.709
Base-Backbone interact. energy: -0.383
local terms energy: -69.246686
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -166.358626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.358626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.358626 (E_RNA)
where:
Base-Base interactions energy: -104.666
where: short stacking energy: -47.170
Base-Backbone interact. energy: 0.078
local terms energy: -61.770252
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -4.683
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: 5, replica: 9
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -188.460338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.460338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.460338 (E_RNA)
where:
Base-Base interactions energy: -121.318
where: short stacking energy: -56.226
Base-Backbone interact. energy: 1.002
local terms energy: -68.144681
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -15.024
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: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -145.971838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.971838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.971838 (E_RNA)
where:
Base-Base interactions energy: -90.126
where: short stacking energy: -44.018
Base-Backbone interact. energy: -0.152
local terms energy: -55.694581
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -11.086
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: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -84.728205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.728205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.728205 (E_RNA)
where:
Base-Base interactions energy: -29.590
where: short stacking energy: -29.590
Base-Backbone interact. energy: -0.045
local terms energy: -55.092762
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -88.031181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.031181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.031181 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -36.095
Base-Backbone interact. energy: -0.139
local terms energy: -51.797208
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -0.480
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: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -82.686924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.686924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.686924 (E_RNA)
where:
Base-Base interactions energy: -30.045
where: short stacking energy: -30.045
Base-Backbone interact. energy: -0.352
local terms energy: -52.289874
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -9.050
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -71.759287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.759287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.759287 (E_RNA)
where:
Base-Base interactions energy: -25.310
where: short stacking energy: -21.297
Base-Backbone interact. energy: -0.754
local terms energy: -45.695274
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -218.353327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.353327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.353327 (E_RNA)
where:
Base-Base interactions energy: -139.288
where: short stacking energy: -71.174
Base-Backbone interact. energy: -0.051
local terms energy: -79.014325
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -217.841427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.841427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.841427 (E_RNA)
where:
Base-Base interactions energy: -133.617
where: short stacking energy: -57.974
Base-Backbone interact. energy: -0.762
local terms energy: -83.462537
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -221.195969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.195969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.195969 (E_RNA)
where:
Base-Base interactions energy: -150.996
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.027
local terms energy: -70.173143
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -160.987665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.987665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.987665 (E_RNA)
where:
Base-Base interactions energy: -105.749
where: short stacking energy: -47.757
Base-Backbone interact. energy: -0.022
local terms energy: -55.216095
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -9.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -156.760122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.760122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.760122 (E_RNA)
where:
Base-Base interactions energy: -102.735
where: short stacking energy: -44.322
Base-Backbone interact. energy: -0.612
local terms energy: -53.414007
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -160.043667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.043667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.043667 (E_RNA)
where:
Base-Base interactions energy: -94.994
where: short stacking energy: -42.735
Base-Backbone interact. energy: -0.179
local terms energy: -64.870670
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -12.466
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: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -87.207764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.207764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.207764 (E_RNA)
where:
Base-Base interactions energy: -42.076
where: short stacking energy: -33.380
Base-Backbone interact. energy: -0.222
local terms energy: -44.909785
where:
bonds (distance) C4'-P energy: -4.311
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -85.358400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.358400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.358400 (E_RNA)
where:
Base-Base interactions energy: -31.587
where: short stacking energy: -23.877
Base-Backbone interact. energy: -0.113
local terms energy: -53.658075
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -84.056006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.056006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.056006 (E_RNA)
where:
Base-Base interactions energy: -44.213
where: short stacking energy: -37.635
Base-Backbone interact. energy: -0.107
local terms energy: -39.736269
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -3.550
flat angles P-C4'-P energy: -3.983
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: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -78.850573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.850573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.850573 (E_RNA)
where:
Base-Base interactions energy: -24.718
where: short stacking energy: -24.718
Base-Backbone interact. energy: -0.143
local terms energy: -53.989604
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -226.104637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.104637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.104637 (E_RNA)
where:
Base-Base interactions energy: -148.066
where: short stacking energy: -65.152
Base-Backbone interact. energy: -0.660
local terms energy: -77.378821
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -19.429
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: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -209.399559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.399559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.399559 (E_RNA)
where:
Base-Base interactions energy: -140.409
where: short stacking energy: -46.026
Base-Backbone interact. energy: -0.100
local terms energy: -68.890206
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -205.649577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.649577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.649577 (E_RNA)
where:
Base-Base interactions energy: -130.726
where: short stacking energy: -52.417
Base-Backbone interact. energy: -0.062
local terms energy: -74.860990
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -162.976145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.976145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.976145 (E_RNA)
where:
Base-Base interactions energy: -101.312
where: short stacking energy: -52.889
Base-Backbone interact. energy: -0.346
local terms energy: -61.318530
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -149.098665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.098665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.098665 (E_RNA)
where:
Base-Base interactions energy: -91.521
where: short stacking energy: -40.383
Base-Backbone interact. energy: -0.061
local terms energy: -57.516076
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -11.904
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: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -104.722651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.722651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.722651 (E_RNA)
where:
Base-Base interactions energy: -51.837
where: short stacking energy: -49.229
Base-Backbone interact. energy: -0.237
local terms energy: -52.649177
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -9.313
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: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -148.883698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.883698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.883698 (E_RNA)
where:
Base-Base interactions energy: -95.335
where: short stacking energy: -41.168
Base-Backbone interact. energy: -0.531
local terms energy: -53.016990
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -10.021
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -76.164647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.164647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.164647 (E_RNA)
where:
Base-Base interactions energy: -27.476
where: short stacking energy: -27.476
Base-Backbone interact. energy: -0.193
local terms energy: -48.496172
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -10.733
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: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -70.470946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.470946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.470946 (E_RNA)
where:
Base-Base interactions energy: -22.253
where: short stacking energy: -19.338
Base-Backbone interact. energy: 0.243
local terms energy: -48.461529
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: 2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -82.208717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.208717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.208717 (E_RNA)
where:
Base-Base interactions energy: -40.819
where: short stacking energy: -27.324
Base-Backbone interact. energy: -0.077
local terms energy: -41.312755
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -8.050
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -220.187704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.187704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.187704 (E_RNA)
where:
Base-Base interactions energy: -142.297
where: short stacking energy: -61.296
Base-Backbone interact. energy: -0.291
local terms energy: -77.599132
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -20.413
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: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -219.745179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.745179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.745179 (E_RNA)
where:
Base-Base interactions energy: -147.982
where: short stacking energy: -62.234
Base-Backbone interact. energy: -0.587
local terms energy: -71.176162
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -185.304077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.304077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.304077 (E_RNA)
where:
Base-Base interactions energy: -110.687
where: short stacking energy: -67.706
Base-Backbone interact. energy: -0.098
local terms energy: -74.519331
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -22.006
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: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -197.477576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.477576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.477576 (E_RNA)
where:
Base-Base interactions energy: -121.636
where: short stacking energy: -57.995
Base-Backbone interact. energy: -0.037
local terms energy: -75.804782
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -164.402213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.402213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.402213 (E_RNA)
where:
Base-Base interactions energy: -99.587
where: short stacking energy: -47.331
Base-Backbone interact. energy: -0.158
local terms energy: -64.656522
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -13.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -106.491523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.491523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.491523 (E_RNA)
where:
Base-Base interactions energy: -48.349
where: short stacking energy: -34.259
Base-Backbone interact. energy: -0.246
local terms energy: -57.896588
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -4.877
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: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -155.064077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.064077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.064077 (E_RNA)
where:
Base-Base interactions energy: -97.364
where: short stacking energy: -45.077
Base-Backbone interact. energy: 0.448
local terms energy: -58.148143
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -11.566
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: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -83.311516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.311516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.311516 (E_RNA)
where:
Base-Base interactions energy: -39.466
where: short stacking energy: -27.644
Base-Backbone interact. energy: -0.358
local terms energy: -43.487844
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -6.336
flat angles P-C4'-P energy: -9.973
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: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -85.662406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.662406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.662406 (E_RNA)
where:
Base-Base interactions energy: -38.627
where: short stacking energy: -28.260
Base-Backbone interact. energy: 2.239
local terms energy: -49.274313
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -0.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -75.206774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.206774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.206774 (E_RNA)
where:
Base-Base interactions energy: -31.308
where: short stacking energy: -18.341
Base-Backbone interact. energy: -0.190
local terms energy: -43.708519
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -217.344365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.344365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.344365 (E_RNA)
where:
Base-Base interactions energy: -147.667
where: short stacking energy: -73.633
Base-Backbone interact. energy: -1.056
local terms energy: -68.622036
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -8.642
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -220.531147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.531147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.531147 (E_RNA)
where:
Base-Base interactions energy: -143.411
where: short stacking energy: -64.170
Base-Backbone interact. energy: -0.596
local terms energy: -76.523993
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -189.599024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.599024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.599024 (E_RNA)
where:
Base-Base interactions energy: -118.282
where: short stacking energy: -53.165
Base-Backbone interact. energy: -0.601
local terms energy: -70.715282
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -150.847570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.847570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.847570 (E_RNA)
where:
Base-Base interactions energy: -87.273
where: short stacking energy: -50.875
Base-Backbone interact. energy: -0.035
local terms energy: -63.539568
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -190.184534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.184534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.184534 (E_RNA)
where:
Base-Base interactions energy: -123.999
where: short stacking energy: -61.162
Base-Backbone interact. energy: -0.063
local terms energy: -66.123436
where:
bonds (distance) C4'-P energy: -7.109
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -19.261
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: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -95.141064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.141064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.141064 (E_RNA)
where:
Base-Base interactions energy: -37.263
where: short stacking energy: -33.157
Base-Backbone interact. energy: -1.285
local terms energy: -56.593239
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -96.179019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.179019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.179019 (E_RNA)
where:
Base-Base interactions energy: -43.079
where: short stacking energy: -24.983
Base-Backbone interact. energy: 1.369
local terms energy: -54.469237
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -95.637263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.637263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.637263 (E_RNA)
where:
Base-Base interactions energy: -39.633
where: short stacking energy: -26.328
Base-Backbone interact. energy: -0.114
local terms energy: -55.890688
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -9.858
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: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -72.376306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.376306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.376306 (E_RNA)
where:
Base-Base interactions energy: -37.608
where: short stacking energy: -18.261
Base-Backbone interact. energy: 0.607
local terms energy: -35.375473
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -6.680
flat angles P-C4'-P energy: -5.539
tors. eta vs tors. theta energy: 1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -68.302897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.302897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.302897 (E_RNA)
where:
Base-Base interactions energy: -20.014
where: short stacking energy: -20.014
Base-Backbone interact. energy: -0.386
local terms energy: -47.903734
where:
bonds (distance) C4'-P energy: -6.886
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -9.067
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: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -224.033214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.033214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.033214 (E_RNA)
where:
Base-Base interactions energy: -149.411
where: short stacking energy: -62.154
Base-Backbone interact. energy: -0.881
local terms energy: -73.742116
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -222.388153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.388153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.388153 (E_RNA)
where:
Base-Base interactions energy: -154.592
where: short stacking energy: -58.457
Base-Backbone interact. energy: -0.345
local terms energy: -67.451265
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -15.641
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: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -196.772204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.772204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.772204 (E_RNA)
where:
Base-Base interactions energy: -119.424
where: short stacking energy: -65.984
Base-Backbone interact. energy: -0.022
local terms energy: -77.325445
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -157.980162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.980162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.980162 (E_RNA)
where:
Base-Base interactions energy: -92.800
where: short stacking energy: -44.706
Base-Backbone interact. energy: -0.649
local terms energy: -64.530969
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -180.905306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.905306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.905306 (E_RNA)
where:
Base-Base interactions energy: -116.253
where: short stacking energy: -56.757
Base-Backbone interact. energy: -0.335
local terms energy: -64.316768
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -89.920394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.920394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.920394 (E_RNA)
where:
Base-Base interactions energy: -40.557
where: short stacking energy: -21.517
Base-Backbone interact. energy: -0.376
local terms energy: -48.987354
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: 1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -87.938495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.938495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.938495 (E_RNA)
where:
Base-Base interactions energy: -36.531
where: short stacking energy: -26.181
Base-Backbone interact. energy: -1.112
local terms energy: -50.294959
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -98.953453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.953453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.953453 (E_RNA)
where:
Base-Base interactions energy: -43.294
where: short stacking energy: -32.137
Base-Backbone interact. energy: -0.081
local terms energy: -55.578534
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -6.899
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: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -70.920445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.920445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.920445 (E_RNA)
where:
Base-Base interactions energy: -30.639
where: short stacking energy: -28.824
Base-Backbone interact. energy: -0.237
local terms energy: -40.043672
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -7.321
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: 2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -67.466757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.466757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.466757 (E_RNA)
where:
Base-Base interactions energy: -26.250
where: short stacking energy: -24.402
Base-Backbone interact. energy: -0.496
local terms energy: -40.721452
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: 1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -229.331406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.331406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.331406 (E_RNA)
where:
Base-Base interactions energy: -155.678
where: short stacking energy: -68.121
Base-Backbone interact. energy: -0.574
local terms energy: -73.079691
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -190.496571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.496571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.496571 (E_RNA)
where:
Base-Base interactions energy: -120.829
where: short stacking energy: -59.733
Base-Backbone interact. energy: -0.057
local terms energy: -69.611250
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -210.379938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.379938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.379938 (E_RNA)
where:
Base-Base interactions energy: -135.685
where: short stacking energy: -65.500
Base-Backbone interact. energy: -1.763
local terms energy: -72.932243
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -19.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -192.536685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.536685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.536685 (E_RNA)
where:
Base-Base interactions energy: -125.330
where: short stacking energy: -49.702
Base-Backbone interact. energy: -0.429
local terms energy: -66.777723
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -139.169789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.169789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.169789 (E_RNA)
where:
Base-Base interactions energy: -81.285
where: short stacking energy: -44.409
Base-Backbone interact. energy: -0.084
local terms energy: -57.801245
where:
bonds (distance) C4'-P energy: -5.972
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -105.817985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.817985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.817985 (E_RNA)
where:
Base-Base interactions energy: -47.238
where: short stacking energy: -41.964
Base-Backbone interact. energy: -0.550
local terms energy: -58.030040
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -93.085753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.085753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.085753 (E_RNA)
where:
Base-Base interactions energy: -42.668
where: short stacking energy: -30.433
Base-Backbone interact. energy: -0.215
local terms energy: -50.203118
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -8.068
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: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -84.014994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.014994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.014994 (E_RNA)
where:
Base-Base interactions energy: -40.131
where: short stacking energy: -19.072
Base-Backbone interact. energy: -0.166
local terms energy: -43.717690
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -12.992
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: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -77.110993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.110993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.110993 (E_RNA)
where:
Base-Base interactions energy: -31.826
where: short stacking energy: -22.999
Base-Backbone interact. energy: -0.492
local terms energy: -44.792835
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -85.344755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.344755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.344755 (E_RNA)
where:
Base-Base interactions energy: -31.035
where: short stacking energy: -31.035
Base-Backbone interact. energy: -0.057
local terms energy: -54.252416
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -11.771
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: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -214.638948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.638948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.638948 (E_RNA)
where:
Base-Base interactions energy: -134.257
where: short stacking energy: -65.582
Base-Backbone interact. energy: -0.501
local terms energy: -79.881823
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -195.223467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.223467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.223467 (E_RNA)
where:
Base-Base interactions energy: -124.769
where: short stacking energy: -58.453
Base-Backbone interact. energy: -0.003
local terms energy: -70.450896
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -14.544
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: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -214.766198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.766198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.766198 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -59.924
Base-Backbone interact. energy: -0.847
local terms energy: -80.649172
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -198.341400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.341400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.341400 (E_RNA)
where:
Base-Base interactions energy: -128.024
where: short stacking energy: -46.825
Base-Backbone interact. energy: -0.384
local terms energy: -69.933371
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -12.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -143.475550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.475550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.475550 (E_RNA)
where:
Base-Base interactions energy: -85.070
where: short stacking energy: -38.624
Base-Backbone interact. energy: -0.225
local terms energy: -58.181471
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -9.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -100.651326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.651326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.651326 (E_RNA)
where:
Base-Base interactions energy: -45.742
where: short stacking energy: -40.787
Base-Backbone interact. energy: 0.344
local terms energy: -55.253642
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -11.861
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: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -88.665863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.665863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.665863 (E_RNA)
where:
Base-Base interactions energy: -34.864
where: short stacking energy: -34.864
Base-Backbone interact. energy: -0.058
local terms energy: -53.744794
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -10.835
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: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -84.522373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.522373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.522373 (E_RNA)
where:
Base-Base interactions energy: -37.742
where: short stacking energy: -25.885
Base-Backbone interact. energy: -0.066
local terms energy: -46.714390
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -85.285978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.285978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.285978 (E_RNA)
where:
Base-Base interactions energy: -39.832
where: short stacking energy: -35.232
Base-Backbone interact. energy: 0.555
local terms energy: -46.008435
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -78.613870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.613870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.613870 (E_RNA)
where:
Base-Base interactions energy: -30.951
where: short stacking energy: -24.166
Base-Backbone interact. energy: -0.229
local terms energy: -47.433707
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -227.155026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.155026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.155026 (E_RNA)
where:
Base-Base interactions energy: -149.605
where: short stacking energy: -64.039
Base-Backbone interact. energy: -0.342
local terms energy: -77.208073
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -208.217708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.217708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.217708 (E_RNA)
where:
Base-Base interactions energy: -130.920
where: short stacking energy: -61.264
Base-Backbone interact. energy: -0.004
local terms energy: -77.294472
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -18.563
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: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -193.116552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.116552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.116552 (E_RNA)
where:
Base-Base interactions energy: -121.490
where: short stacking energy: -72.835
Base-Backbone interact. energy: -0.342
local terms energy: -71.284860
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -20.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -194.667044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.667044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.667044 (E_RNA)
where:
Base-Base interactions energy: -130.401
where: short stacking energy: -51.869
Base-Backbone interact. energy: 0.028
local terms energy: -64.294063
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -16.004
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: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -149.229236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.229236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.229236 (E_RNA)
where:
Base-Base interactions energy: -93.666
where: short stacking energy: -47.120
Base-Backbone interact. energy: -0.067
local terms energy: -55.496835
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -12.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -92.108736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.108736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.108736 (E_RNA)
where:
Base-Base interactions energy: -40.376
where: short stacking energy: -35.226
Base-Backbone interact. energy: -0.133
local terms energy: -51.599507
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -7.205
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: 97
Temperature: 1.200000
Total energy: -107.768693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.768693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.768693 (E_RNA)
where:
Base-Base interactions energy: -46.242
where: short stacking energy: -34.238
Base-Backbone interact. energy: -0.284
local terms energy: -61.243045
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -6.137
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: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -77.755017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.755017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.755017 (E_RNA)
where:
Base-Base interactions energy: -28.832
where: short stacking energy: -28.832
Base-Backbone interact. energy: -0.537
local terms energy: -48.385671
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: 0.235
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: 97
Temperature: 1.300000
Total energy: -93.441741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.441741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.441741 (E_RNA)
where:
Base-Base interactions energy: -47.948
where: short stacking energy: -30.823
Base-Backbone interact. energy: -0.878
local terms energy: -44.615230
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: 0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -70.794659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.794659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.794659 (E_RNA)
where:
Base-Base interactions energy: -27.208
where: short stacking energy: -27.208
Base-Backbone interact. energy: -0.727
local terms energy: -42.860087
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -6.994
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: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -225.177778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.177778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.177778 (E_RNA)
where:
Base-Base interactions energy: -149.417
where: short stacking energy: -58.674
Base-Backbone interact. energy: -1.292
local terms energy: -74.469043
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -214.646880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.646880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.646880 (E_RNA)
where:
Base-Base interactions energy: -142.867
where: short stacking energy: -58.265
Base-Backbone interact. energy: 0.151
local terms energy: -71.931261
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -217.651149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.651149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.651149 (E_RNA)
where:
Base-Base interactions energy: -148.906
where: short stacking energy: -62.255
Base-Backbone interact. energy: -0.036
local terms energy: -68.708633
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -182.117409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.117409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.117409 (E_RNA)
where:
Base-Base interactions energy: -115.655
where: short stacking energy: -55.239
Base-Backbone interact. energy: 0.896
local terms energy: -67.358676
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -11.558
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: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -160.673160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.673160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.673160 (E_RNA)
where:
Base-Base interactions energy: -93.922
where: short stacking energy: -48.638
Base-Backbone interact. energy: -0.840
local terms energy: -65.911293
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -11.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -109.679386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.679386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.679386 (E_RNA)
where:
Base-Base interactions energy: -48.205
where: short stacking energy: -48.205
Base-Backbone interact. energy: -0.006
local terms energy: -61.467882
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -97.367128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.367128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.367128 (E_RNA)
where:
Base-Base interactions energy: -34.871
where: short stacking energy: -30.470
Base-Backbone interact. energy: -0.002
local terms energy: -62.494168
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -8.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -80.838199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.838199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.838199 (E_RNA)
where:
Base-Base interactions energy: -27.317
where: short stacking energy: -18.803
Base-Backbone interact. energy: -0.332
local terms energy: -53.189777
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -91.717161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.717161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.717161 (E_RNA)
where:
Base-Base interactions energy: -42.355
where: short stacking energy: -40.210
Base-Backbone interact. energy: -1.395
local terms energy: -47.967126
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -8.875
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -78.200992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.200992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.200992 (E_RNA)
where:
Base-Base interactions energy: -32.519
where: short stacking energy: -32.519
Base-Backbone interact. energy: 0.172
local terms energy: -45.854303
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -235.212268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.212268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.212268 (E_RNA)
where:
Base-Base interactions energy: -158.923
where: short stacking energy: -64.456
Base-Backbone interact. energy: 0.014
local terms energy: -76.303255
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -214.055532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.055532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.055532 (E_RNA)
where:
Base-Base interactions energy: -133.930
where: short stacking energy: -59.200
Base-Backbone interact. energy: -0.921
local terms energy: -79.204856
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -209.898796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.898796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.898796 (E_RNA)
where:
Base-Base interactions energy: -137.243
where: short stacking energy: -60.717
Base-Backbone interact. energy: -0.384
local terms energy: -72.271850
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -193.611240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.611240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.611240 (E_RNA)
where:
Base-Base interactions energy: -142.016
where: short stacking energy: -46.802
Base-Backbone interact. energy: -0.198
local terms energy: -51.397122
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -10.964
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: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -151.883506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.883506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.883506 (E_RNA)
where:
Base-Base interactions energy: -85.126
where: short stacking energy: -32.930
Base-Backbone interact. energy: -0.377
local terms energy: -66.380814
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -106.433419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.433419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.433419 (E_RNA)
where:
Base-Base interactions energy: -54.272
where: short stacking energy: -41.171
Base-Backbone interact. energy: 0.140
local terms energy: -52.300970
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -6.814
flat angles P-C4'-P energy: -7.440
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: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -98.059297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.059297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.059297 (E_RNA)
where:
Base-Base interactions energy: -37.653
where: short stacking energy: -37.653
Base-Backbone interact. energy: -0.093
local terms energy: -60.313387
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -9.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -78.423309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.423309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.423309 (E_RNA)
where:
Base-Base interactions energy: -32.259
where: short stacking energy: -26.864
Base-Backbone interact. energy: -0.584
local terms energy: -45.580898
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: 2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -80.608042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.608042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.608042 (E_RNA)
where:
Base-Base interactions energy: -30.300
where: short stacking energy: -20.038
Base-Backbone interact. energy: -0.248
local terms energy: -50.059863
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -8.607
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: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -87.496599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.496599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.496599 (E_RNA)
where:
Base-Base interactions energy: -43.839
where: short stacking energy: -38.046
Base-Backbone interact. energy: 0.924
local terms energy: -44.582104
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -9.427
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -5.387
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: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -226.168116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.168116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.168116 (E_RNA)
where:
Base-Base interactions energy: -154.795
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.012
local terms energy: -71.361838
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -17.690
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: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -221.142329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.142329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.142329 (E_RNA)
where:
Base-Base interactions energy: -145.095
where: short stacking energy: -60.833
Base-Backbone interact. energy: -0.044
local terms energy: -76.003372
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -20.625
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: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -202.062554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.062554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.062554 (E_RNA)
where:
Base-Base interactions energy: -135.765
where: short stacking energy: -31.633
Base-Backbone interact. energy: -1.805
local terms energy: -64.492887
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -219.750054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.750054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.750054 (E_RNA)
where:
Base-Base interactions energy: -144.491
where: short stacking energy: -68.569
Base-Backbone interact. energy: -0.562
local terms energy: -74.696949
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -20.928
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: 8
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -158.040627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.040627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.040627 (E_RNA)
where:
Base-Base interactions energy: -96.041
where: short stacking energy: -42.404
Base-Backbone interact. energy: -0.188
local terms energy: -61.811185
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -103.697822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.697822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.697822 (E_RNA)
where:
Base-Base interactions energy: -46.418
where: short stacking energy: -39.641
Base-Backbone interact. energy: -0.554
local terms energy: -56.726525
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -7.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -82.638616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.638616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.638616 (E_RNA)
where:
Base-Base interactions energy: -30.554
where: short stacking energy: -26.148
Base-Backbone interact. energy: -0.086
local terms energy: -51.998352
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -105.429657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.429657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.429657 (E_RNA)
where:
Base-Base interactions energy: -43.850
where: short stacking energy: -39.031
Base-Backbone interact. energy: -0.677
local terms energy: -60.903322
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -7.687
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: 9, replica: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -89.090905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.090905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.090905 (E_RNA)
where:
Base-Base interactions energy: -34.484
where: short stacking energy: -34.484
Base-Backbone interact. energy: -0.031
local terms energy: -54.575396
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -72.329098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.329098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.329098 (E_RNA)
where:
Base-Base interactions energy: -25.911
where: short stacking energy: -19.698
Base-Backbone interact. energy: 0.789
local terms energy: -47.206358
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -4.739
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -1.844
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: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -225.512721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.512721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.512721 (E_RNA)
where:
Base-Base interactions energy: -148.573
where: short stacking energy: -55.030
Base-Backbone interact. energy: -0.100
local terms energy: -76.840102
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -226.502715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.502715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.502715 (E_RNA)
where:
Base-Base interactions energy: -154.309
where: short stacking energy: -61.689
Base-Backbone interact. energy: -0.024
local terms energy: -72.169815
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -206.835218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.835218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.835218 (E_RNA)
where:
Base-Base interactions energy: -134.179
where: short stacking energy: -44.480
Base-Backbone interact. energy: -1.437
local terms energy: -71.219655
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -16.952
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: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -215.337120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.337120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.337120 (E_RNA)
where:
Base-Base interactions energy: -132.750
where: short stacking energy: -59.841
Base-Backbone interact. energy: -0.045
local terms energy: -82.542337
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -130.196409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.196409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.196409 (E_RNA)
where:
Base-Base interactions energy: -72.859
where: short stacking energy: -41.495
Base-Backbone interact. energy: -0.256
local terms energy: -57.081101
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -7.912
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: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -109.975671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.975671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.975671 (E_RNA)
where:
Base-Base interactions energy: -43.544
where: short stacking energy: -42.860
Base-Backbone interact. energy: -0.002
local terms energy: -66.429377
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -15.665
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: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -101.161892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.161892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.161892 (E_RNA)
where:
Base-Base interactions energy: -56.440
where: short stacking energy: -39.233
Base-Backbone interact. energy: -0.410
local terms energy: -44.312307
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -9.816
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -7.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -95.144927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.144927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.144927 (E_RNA)
where:
Base-Base interactions energy: -39.560
where: short stacking energy: -32.422
Base-Backbone interact. energy: -0.183
local terms energy: -55.402204
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -8.549
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -76.660247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.660247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.660247 (E_RNA)
where:
Base-Base interactions energy: -23.101
where: short stacking energy: -21.641
Base-Backbone interact. energy: -0.106
local terms energy: -53.452536
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -72.773395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.773395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.773395 (E_RNA)
where:
Base-Base interactions energy: -33.017
where: short stacking energy: -28.998
Base-Backbone interact. energy: -0.296
local terms energy: -39.459934
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: -1.017
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: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -227.376409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.376409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.376409 (E_RNA)
where:
Base-Base interactions energy: -152.490
where: short stacking energy: -71.469
Base-Backbone interact. energy: -0.097
local terms energy: -74.789092
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -21.398
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: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -211.575290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.575290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.575290 (E_RNA)
where:
Base-Base interactions energy: -141.995
where: short stacking energy: -54.309
Base-Backbone interact. energy: -0.267
local terms energy: -69.313639
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -16.993
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: 102
Temperature: 1.000000
Total energy: -225.007125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.007125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.007125 (E_RNA)
where:
Base-Base interactions energy: -145.460
where: short stacking energy: -66.050
Base-Backbone interact. energy: -0.037
local terms energy: -79.510297
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -177.356634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.356634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.356634 (E_RNA)
where:
Base-Base interactions energy: -107.025
where: short stacking energy: -55.032
Base-Backbone interact. energy: -0.431
local terms energy: -69.900510
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -147.192400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.192400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.192400 (E_RNA)
where:
Base-Base interactions energy: -82.838
where: short stacking energy: -50.434
Base-Backbone interact. energy: -0.044
local terms energy: -64.311135
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -13.372
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: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -89.248018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.248018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.248018 (E_RNA)
where:
Base-Base interactions energy: -31.790
where: short stacking energy: -30.556
Base-Backbone interact. energy: -1.823
local terms energy: -55.634978
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -11.980
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: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -93.356076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.356076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.356076 (E_RNA)
where:
Base-Base interactions energy: -45.743
where: short stacking energy: -33.621
Base-Backbone interact. energy: -0.086
local terms energy: -47.527637
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -7.635
flat angles P-C4'-P energy: -2.448
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: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -95.940057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.940057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.940057 (E_RNA)
where:
Base-Base interactions energy: -47.626
where: short stacking energy: -32.140
Base-Backbone interact. energy: -0.032
local terms energy: -48.282033
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -2.795
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: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -86.087030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.087030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.087030 (E_RNA)
where:
Base-Base interactions energy: -36.011
where: short stacking energy: -18.816
Base-Backbone interact. energy: -0.235
local terms energy: -49.840687
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -81.637112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.637112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.637112 (E_RNA)
where:
Base-Base interactions energy: -35.784
where: short stacking energy: -22.973
Base-Backbone interact. energy: -0.369
local terms energy: -45.483854
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -0.784
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: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -221.091567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.091567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.091567 (E_RNA)
where:
Base-Base interactions energy: -147.300
where: short stacking energy: -62.494
Base-Backbone interact. energy: -0.006
local terms energy: -73.785639
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -224.051562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.051562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.051562 (E_RNA)
where:
Base-Base interactions energy: -151.192
where: short stacking energy: -68.126
Base-Backbone interact. energy: -0.680
local terms energy: -72.179328
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -214.661909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.661909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.661909 (E_RNA)
where:
Base-Base interactions energy: -136.890
where: short stacking energy: -64.939
Base-Backbone interact. energy: 0.065
local terms energy: -77.837524
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -17.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -167.083020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.083020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.083020 (E_RNA)
where:
Base-Base interactions energy: -102.284
where: short stacking energy: -47.732
Base-Backbone interact. energy: -1.006
local terms energy: -63.792933
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -143.242212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.242212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.242212 (E_RNA)
where:
Base-Base interactions energy: -90.565
where: short stacking energy: -41.242
Base-Backbone interact. energy: -0.807
local terms energy: -51.869898
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -7.204
flat angles P-C4'-P energy: -7.792
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: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -89.526439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.526439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.526439 (E_RNA)
where:
Base-Base interactions energy: -38.095
where: short stacking energy: -23.084
Base-Backbone interact. energy: 0.380
local terms energy: -51.810887
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: 1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -90.882901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.882901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.882901 (E_RNA)
where:
Base-Base interactions energy: -38.957
where: short stacking energy: -22.572
Base-Backbone interact. energy: -0.231
local terms energy: -51.694867
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -8.510
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -100.808572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.808572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.808572 (E_RNA)
where:
Base-Base interactions energy: -43.656
where: short stacking energy: -43.656
Base-Backbone interact. energy: -0.219
local terms energy: -56.934014
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -92.721601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.721601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.721601 (E_RNA)
where:
Base-Base interactions energy: -48.850
where: short stacking energy: -26.850
Base-Backbone interact. energy: -0.578
local terms energy: -43.293324
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -9.854
flat angles P-C4'-P energy: -6.543
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: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -83.611498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.611498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.611498 (E_RNA)
where:
Base-Base interactions energy: -35.357
where: short stacking energy: -26.979
Base-Backbone interact. energy: -0.153
local terms energy: -48.102060
where:
bonds (distance) C4'-P energy: -6.539
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -9.248
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: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -227.731998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.731998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.731998 (E_RNA)
where:
Base-Base interactions energy: -145.836
where: short stacking energy: -61.580
Base-Backbone interact. energy: 0.028
local terms energy: -81.924612
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -21.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -216.293618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.293618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.293618 (E_RNA)
where:
Base-Base interactions energy: -140.041
where: short stacking energy: -67.604
Base-Backbone interact. energy: -0.022
local terms energy: -76.230122
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -210.642953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.642953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.642953 (E_RNA)
where:
Base-Base interactions energy: -136.327
where: short stacking energy: -65.975
Base-Backbone interact. energy: -0.003
local terms energy: -74.313058
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -162.933604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.933604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.933604 (E_RNA)
where:
Base-Base interactions energy: -101.464
where: short stacking energy: -59.849
Base-Backbone interact. energy: 1.506
local terms energy: -62.975862
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -6.136
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: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -140.913252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.913252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.913252 (E_RNA)
where:
Base-Base interactions energy: -79.977
where: short stacking energy: -36.774
Base-Backbone interact. energy: -0.861
local terms energy: -60.075796
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -5.924
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: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -121.004549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.004549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.004549 (E_RNA)
where:
Base-Base interactions energy: -64.020
where: short stacking energy: -39.409
Base-Backbone interact. energy: -0.021
local terms energy: -56.963188
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -11.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -90.274317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.274317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.274317 (E_RNA)
where:
Base-Base interactions energy: -42.147
where: short stacking energy: -27.727
Base-Backbone interact. energy: -0.409
local terms energy: -47.718047
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -3.924
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: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -87.411947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.411947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.411947 (E_RNA)
where:
Base-Base interactions energy: -40.052
where: short stacking energy: -34.177
Base-Backbone interact. energy: -0.186
local terms energy: -47.174269
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -85.003176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.003176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.003176 (E_RNA)
where:
Base-Base interactions energy: -35.537
where: short stacking energy: -28.379
Base-Backbone interact. energy: -0.084
local terms energy: -49.382979
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -3.563
tors. eta vs tors. theta energy: -2.427
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: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -72.448688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.448688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.448688 (E_RNA)
where:
Base-Base interactions energy: -24.201
where: short stacking energy: -19.018
Base-Backbone interact. energy: -0.352
local terms energy: -47.894968
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -231.448413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.448413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.448413 (E_RNA)
where:
Base-Base interactions energy: -153.811
where: short stacking energy: -64.039
Base-Backbone interact. energy: -0.036
local terms energy: -77.601278
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -219.409803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.409803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.409803 (E_RNA)
where:
Base-Base interactions energy: -142.990
where: short stacking energy: -66.536
Base-Backbone interact. energy: -0.037
local terms energy: -76.383526
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -21.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -212.707399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.707399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.707399 (E_RNA)
where:
Base-Base interactions energy: -139.055
where: short stacking energy: -67.435
Base-Backbone interact. energy: -0.150
local terms energy: -73.502750
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -168.800565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.800565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.800565 (E_RNA)
where:
Base-Base interactions energy: -105.963
where: short stacking energy: -44.759
Base-Backbone interact. energy: -0.046
local terms energy: -62.791539
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -8.459
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: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -146.797600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.797600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.797600 (E_RNA)
where:
Base-Base interactions energy: -83.737
where: short stacking energy: -42.220
Base-Backbone interact. energy: 0.041
local terms energy: -63.101336
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -12.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -115.019749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.019749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.019749 (E_RNA)
where:
Base-Base interactions energy: -57.607
where: short stacking energy: -53.083
Base-Backbone interact. energy: 0.096
local terms energy: -57.508702
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -94.844646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.844646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.844646 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -30.820
Base-Backbone interact. energy: -0.170
local terms energy: -61.814339
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.034
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: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -121.880506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.880506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.880506 (E_RNA)
where:
Base-Base interactions energy: -71.683
where: short stacking energy: -31.133
Base-Backbone interact. energy: -0.516
local terms energy: -49.681379
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -8.468
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -85.259811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.259811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.259811 (E_RNA)
where:
Base-Base interactions energy: -32.254
where: short stacking energy: -27.097
Base-Backbone interact. energy: -0.025
local terms energy: -52.980147
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -7.282
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: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -78.765051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.765051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.765051 (E_RNA)
where:
Base-Base interactions energy: -31.412
where: short stacking energy: -19.448
Base-Backbone interact. energy: -0.126
local terms energy: -47.226895
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: 0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -219.710866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.710866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.710866 (E_RNA)
where:
Base-Base interactions energy: -138.396
where: short stacking energy: -62.082
Base-Backbone interact. energy: -1.052
local terms energy: -80.262436
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -21.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -221.792884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.792884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.792884 (E_RNA)
where:
Base-Base interactions energy: -144.391
where: short stacking energy: -65.845
Base-Backbone interact. energy: -0.005
local terms energy: -77.397298
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -215.782833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.782833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.782833 (E_RNA)
where:
Base-Base interactions energy: -139.091
where: short stacking energy: -53.660
Base-Backbone interact. energy: -0.050
local terms energy: -76.641618
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -167.923691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.923691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.923691 (E_RNA)
where:
Base-Base interactions energy: -102.476
where: short stacking energy: -56.015
Base-Backbone interact. energy: -0.072
local terms energy: -65.375156
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -143.100135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.100135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.100135 (E_RNA)
where:
Base-Base interactions energy: -83.159
where: short stacking energy: -46.591
Base-Backbone interact. energy: 0.335
local terms energy: -60.276719
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -116.645277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.645277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.645277 (E_RNA)
where:
Base-Base interactions energy: -54.678
where: short stacking energy: -44.741
Base-Backbone interact. energy: -0.707
local terms energy: -61.260148
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -9.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -115.052317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.052317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.052317 (E_RNA)
where:
Base-Base interactions energy: -65.527
where: short stacking energy: -24.549
Base-Backbone interact. energy: 0.299
local terms energy: -49.824593
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.331
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: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -92.816751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.816751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.816751 (E_RNA)
where:
Base-Base interactions energy: -37.266
where: short stacking energy: -37.126
Base-Backbone interact. energy: -0.081
local terms energy: -55.470661
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -78.326785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.326785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.326785 (E_RNA)
where:
Base-Base interactions energy: -25.109
where: short stacking energy: -24.276
Base-Backbone interact. energy: -0.294
local terms energy: -52.923350
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -67.891852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.891852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.891852 (E_RNA)
where:
Base-Base interactions energy: -25.100
where: short stacking energy: -19.528
Base-Backbone interact. energy: -1.494
local terms energy: -41.297843
where:
bonds (distance) C4'-P energy: -8.138
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -227.937314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.937314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.937314 (E_RNA)
where:
Base-Base interactions energy: -149.635
where: short stacking energy: -61.135
Base-Backbone interact. energy: -0.066
local terms energy: -78.236658
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -22.718
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: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -215.643666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.643666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.643666 (E_RNA)
where:
Base-Base interactions energy: -141.260
where: short stacking energy: -58.305
Base-Backbone interact. energy: -0.011
local terms energy: -74.372049
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -18.357
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: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -218.028756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.028756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.028756 (E_RNA)
where:
Base-Base interactions energy: -145.992
where: short stacking energy: -70.549
Base-Backbone interact. energy: -0.663
local terms energy: -71.373719
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -172.039293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.039293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.039293 (E_RNA)
where:
Base-Base interactions energy: -100.566
where: short stacking energy: -58.063
Base-Backbone interact. energy: -0.000
local terms energy: -71.472914
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -139.655977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.655977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.655977 (E_RNA)
where:
Base-Base interactions energy: -94.612
where: short stacking energy: -34.437
Base-Backbone interact. energy: -0.300
local terms energy: -44.743321
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -6.654
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -106.462673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.462673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.462673 (E_RNA)
where:
Base-Base interactions energy: -51.648
where: short stacking energy: -34.481
Base-Backbone interact. energy: -0.061
local terms energy: -54.754004
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -9.237
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: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -96.933249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.933249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.933249 (E_RNA)
where:
Base-Base interactions energy: -52.492
where: short stacking energy: -26.567
Base-Backbone interact. energy: -0.118
local terms energy: -44.322832
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -0.433
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -81.497555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.497555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.497555 (E_RNA)
where:
Base-Base interactions energy: -32.234
where: short stacking energy: -30.853
Base-Backbone interact. energy: -0.521
local terms energy: -48.743313
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: 1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -84.831194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.831194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.831194 (E_RNA)
where:
Base-Base interactions energy: -31.795
where: short stacking energy: -31.562
Base-Backbone interact. energy: 1.530
local terms energy: -54.566500
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -84.918748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.918748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.918748 (E_RNA)
where:
Base-Base interactions energy: -39.303
where: short stacking energy: -34.388
Base-Backbone interact. energy: -0.186
local terms energy: -45.429769
where:
bonds (distance) C4'-P energy: -6.932
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -225.894539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.894539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.894539 (E_RNA)
where:
Base-Base interactions energy: -152.875
where: short stacking energy: -65.386
Base-Backbone interact. energy: -0.011
local terms energy: -73.009178
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -219.906025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.906025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.906025 (E_RNA)
where:
Base-Base interactions energy: -138.122
where: short stacking energy: -70.663
Base-Backbone interact. energy: -1.799
local terms energy: -79.985108
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -178.387417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.387417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.387417 (E_RNA)
where:
Base-Base interactions energy: -113.669
where: short stacking energy: -56.302
Base-Backbone interact. energy: -0.004
local terms energy: -64.714651
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -17.319
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: 108
Temperature: 1.050000
Total energy: -215.533548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.533548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.533548 (E_RNA)
where:
Base-Base interactions energy: -147.059
where: short stacking energy: -58.820
Base-Backbone interact. energy: -0.585
local terms energy: -67.889150
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -9.387
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -161.664708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.664708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.664708 (E_RNA)
where:
Base-Base interactions energy: -104.254
where: short stacking energy: -45.068
Base-Backbone interact. energy: -0.166
local terms energy: -57.244069
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -11.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -99.736180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.736180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.736180 (E_RNA)
where:
Base-Base interactions energy: -46.923
where: short stacking energy: -36.790
Base-Backbone interact. energy: -0.099
local terms energy: -52.713798
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -83.029506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.029506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.029506 (E_RNA)
where:
Base-Base interactions energy: -28.817
where: short stacking energy: -28.817
Base-Backbone interact. energy: -0.226
local terms energy: -53.986873
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -97.101015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.101015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.101015 (E_RNA)
where:
Base-Base interactions energy: -48.879
where: short stacking energy: -35.338
Base-Backbone interact. energy: -0.384
local terms energy: -47.837770
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -9.920
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: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -90.925192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.925192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.925192 (E_RNA)
where:
Base-Base interactions energy: -40.624
where: short stacking energy: -28.475
Base-Backbone interact. energy: -0.396
local terms energy: -49.904802
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -3.809
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -75.280832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.280832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.280832 (E_RNA)
where:
Base-Base interactions energy: -27.354
where: short stacking energy: -20.310
Base-Backbone interact. energy: -0.250
local terms energy: -47.676340
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -6.913
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -10.680
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: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -223.697391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.697391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.697391 (E_RNA)
where:
Base-Base interactions energy: -154.893
where: short stacking energy: -56.047
Base-Backbone interact. energy: -0.296
local terms energy: -68.508557
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -224.826559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.826559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.826559 (E_RNA)
where:
Base-Base interactions energy: -147.957
where: short stacking energy: -69.665
Base-Backbone interact. energy: -0.045
local terms energy: -76.824716
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -181.198898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.198898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.198898 (E_RNA)
where:
Base-Base interactions energy: -112.107
where: short stacking energy: -63.478
Base-Backbone interact. energy: -0.103
local terms energy: -68.989641
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -203.572155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.572155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.572155 (E_RNA)
where:
Base-Base interactions energy: -134.187
where: short stacking energy: -52.426
Base-Backbone interact. energy: -1.195
local terms energy: -68.189669
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -9.191
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: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -158.999424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.999424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.999424 (E_RNA)
where:
Base-Base interactions energy: -94.573
where: short stacking energy: -40.307
Base-Backbone interact. energy: -1.717
local terms energy: -62.709726
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -11.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -105.836781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.836781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.836781 (E_RNA)
where:
Base-Base interactions energy: -50.345
where: short stacking energy: -43.875
Base-Backbone interact. energy: 0.782
local terms energy: -56.273165
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -3.759
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: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -91.552932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.552932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.552932 (E_RNA)
where:
Base-Base interactions energy: -41.845
where: short stacking energy: -26.956
Base-Backbone interact. energy: -0.100
local terms energy: -49.607941
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -87.515391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.515391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.515391 (E_RNA)
where:
Base-Base interactions energy: -40.054
where: short stacking energy: -30.394
Base-Backbone interact. energy: -0.906
local terms energy: -46.555287
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -4.075
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: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -85.070219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.070219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.070219 (E_RNA)
where:
Base-Base interactions energy: -33.065
where: short stacking energy: -26.460
Base-Backbone interact. energy: -0.121
local terms energy: -51.884155
where:
bonds (distance) C4'-P energy: -8.450
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -6.404
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: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -73.825115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.825115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.825115 (E_RNA)
where:
Base-Base interactions energy: -26.053
where: short stacking energy: -15.205
Base-Backbone interact. energy: -1.141
local terms energy: -46.631438
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: 1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -227.446352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.446352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.446352 (E_RNA)
where:
Base-Base interactions energy: -145.085
where: short stacking energy: -63.081
Base-Backbone interact. energy: -0.107
local terms energy: -82.254417
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -14.916
tors. eta vs tors. theta energy: -20.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -215.468490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.468490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.468490 (E_RNA)
where:
Base-Base interactions energy: -148.028
where: short stacking energy: -59.682
Base-Backbone interact. energy: -1.408
local terms energy: -66.031508
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -217.969293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.969293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.969293 (E_RNA)
where:
Base-Base interactions energy: -153.515
where: short stacking energy: -50.397
Base-Backbone interact. energy: -0.199
local terms energy: -64.254878
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -174.556551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.556551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.556551 (E_RNA)
where:
Base-Base interactions energy: -108.939
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.112
local terms energy: -65.505984
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -162.244916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.244916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.244916 (E_RNA)
where:
Base-Base interactions energy: -104.557
where: short stacking energy: -46.766
Base-Backbone interact. energy: 1.422
local terms energy: -59.110228
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -7.479
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: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -95.164488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.164488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.164488 (E_RNA)
where:
Base-Base interactions energy: -38.650
where: short stacking energy: -38.615
Base-Backbone interact. energy: -0.381
local terms energy: -56.133143
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -8.554
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -9.886
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: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -94.957286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.957286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.957286 (E_RNA)
where:
Base-Base interactions energy: -41.504
where: short stacking energy: -34.911
Base-Backbone interact. energy: -0.036
local terms energy: -53.417819
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -84.074170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.074170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.074170 (E_RNA)
where:
Base-Base interactions energy: -31.236
where: short stacking energy: -29.313
Base-Backbone interact. energy: -0.309
local terms energy: -52.528733
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -7.546
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -87.688764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.688764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.688764 (E_RNA)
where:
Base-Base interactions energy: -29.289
where: short stacking energy: -29.289
Base-Backbone interact. energy: -0.111
local terms energy: -58.288266
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -78.589054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.589054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.589054 (E_RNA)
where:
Base-Base interactions energy: -31.715
where: short stacking energy: -28.739
Base-Backbone interact. energy: -0.316
local terms energy: -46.558204
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -6.834
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -221.033009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.033009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.033009 (E_RNA)
where:
Base-Base interactions energy: -140.033
where: short stacking energy: -66.392
Base-Backbone interact. energy: 0.530
local terms energy: -81.529977
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -226.735992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.735992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.735992 (E_RNA)
where:
Base-Base interactions energy: -156.360
where: short stacking energy: -66.139
Base-Backbone interact. energy: -0.712
local terms energy: -69.664292
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -203.683682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.683682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.683682 (E_RNA)
where:
Base-Base interactions energy: -138.144
where: short stacking energy: -44.813
Base-Backbone interact. energy: -1.199
local terms energy: -64.341092
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -9.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -173.891964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.891964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.891964 (E_RNA)
where:
Base-Base interactions energy: -107.235
where: short stacking energy: -58.188
Base-Backbone interact. energy: 0.231
local terms energy: -66.887617
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -166.628142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.628142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.628142 (E_RNA)
where:
Base-Base interactions energy: -100.438
where: short stacking energy: -53.360
Base-Backbone interact. energy: -0.130
local terms energy: -66.060122
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -13.002
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: 111
Temperature: 1.150000
Total energy: -120.412591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.412591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.412591 (E_RNA)
where:
Base-Base interactions energy: -78.868
where: short stacking energy: -26.438
Base-Backbone interact. energy: -0.253
local terms energy: -41.291534
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: 0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -94.549506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.549506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.549506 (E_RNA)
where:
Base-Base interactions energy: -38.161
where: short stacking energy: -36.426
Base-Backbone interact. energy: -0.287
local terms energy: -56.101092
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -7.416
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: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -81.536963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.536963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.536963 (E_RNA)
where:
Base-Base interactions energy: -28.194
where: short stacking energy: -28.194
Base-Backbone interact. energy: -0.040
local terms energy: -53.302888
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -75.377467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.377467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.377467 (E_RNA)
where:
Base-Base interactions energy: -24.067
where: short stacking energy: -23.793
Base-Backbone interact. energy: 1.128
local terms energy: -52.438234
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -81.888374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.888374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.888374 (E_RNA)
where:
Base-Base interactions energy: -40.442
where: short stacking energy: -23.500
Base-Backbone interact. energy: -0.187
local terms energy: -41.259001
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -5.693
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -221.814273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.814273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.814273 (E_RNA)
where:
Base-Base interactions energy: -143.516
where: short stacking energy: -62.183
Base-Backbone interact. energy: -0.035
local terms energy: -78.263058
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -228.379051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.379051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.379051 (E_RNA)
where:
Base-Base interactions energy: -152.826
where: short stacking energy: -65.390
Base-Backbone interact. energy: -1.688
local terms energy: -73.864872
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -19.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -185.232930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.232930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.232930 (E_RNA)
where:
Base-Base interactions energy: -119.433
where: short stacking energy: -58.861
Base-Backbone interact. energy: -0.009
local terms energy: -65.790288
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -218.040814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.040814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.040814 (E_RNA)
where:
Base-Base interactions energy: -147.978
where: short stacking energy: -57.886
Base-Backbone interact. energy: -0.067
local terms energy: -69.995322
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -111.338600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.338600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.338600 (E_RNA)
where:
Base-Base interactions energy: -66.123
where: short stacking energy: -35.273
Base-Backbone interact. energy: -0.514
local terms energy: -44.701416
where:
bonds (distance) C4'-P energy: -5.577
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -135.985396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.985396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.985396 (E_RNA)
where:
Base-Base interactions energy: -84.607
where: short stacking energy: -35.953
Base-Backbone interact. energy: -0.249
local terms energy: -51.129788
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -1.343
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: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -108.514404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.514404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.514404 (E_RNA)
where:
Base-Base interactions energy: -47.128
where: short stacking energy: -41.488
Base-Backbone interact. energy: -0.014
local terms energy: -61.372374
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -75.453017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.453017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.453017 (E_RNA)
where:
Base-Base interactions energy: -27.499
where: short stacking energy: -22.162
Base-Backbone interact. energy: -0.022
local terms energy: -47.931571
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -85.127458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.127458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.127458 (E_RNA)
where:
Base-Base interactions energy: -40.695
where: short stacking energy: -32.377
Base-Backbone interact. energy: -0.592
local terms energy: -43.840511
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -84.084649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.084649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.084649 (E_RNA)
where:
Base-Base interactions energy: -34.519
where: short stacking energy: -32.695
Base-Backbone interact. energy: -0.049
local terms energy: -49.516623
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -2.332
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -220.375199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.375199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.375199 (E_RNA)
where:
Base-Base interactions energy: -146.746
where: short stacking energy: -63.604
Base-Backbone interact. energy: -0.047
local terms energy: -73.581813
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -226.585355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.585355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.585355 (E_RNA)
where:
Base-Base interactions energy: -154.631
where: short stacking energy: -63.559
Base-Backbone interact. energy: -0.315
local terms energy: -71.639102
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -177.520165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.520165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.520165 (E_RNA)
where:
Base-Base interactions energy: -107.245
where: short stacking energy: -55.866
Base-Backbone interact. energy: -0.111
local terms energy: -70.164776
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -200.472348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.472348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.472348 (E_RNA)
where:
Base-Base interactions energy: -137.012
where: short stacking energy: -54.186
Base-Backbone interact. energy: 1.322
local terms energy: -64.782234
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -9.559
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: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -115.502618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.502618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.502618 (E_RNA)
where:
Base-Base interactions energy: -60.306
where: short stacking energy: -41.089
Base-Backbone interact. energy: -1.367
local terms energy: -53.829018
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -90.890973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.890973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.890973 (E_RNA)
where:
Base-Base interactions energy: -38.648
where: short stacking energy: -34.274
Base-Backbone interact. energy: 0.731
local terms energy: -52.973620
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -125.339428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.339428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.339428 (E_RNA)
where:
Base-Base interactions energy: -65.216
where: short stacking energy: -32.736
Base-Backbone interact. energy: 1.051
local terms energy: -61.174557
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -79.581707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.581707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.581707 (E_RNA)
where:
Base-Base interactions energy: -26.099
where: short stacking energy: -24.025
Base-Backbone interact. energy: -0.058
local terms energy: -53.424586
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -75.530858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.530858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.530858 (E_RNA)
where:
Base-Base interactions energy: -30.751
where: short stacking energy: -25.174
Base-Backbone interact. energy: -0.174
local terms energy: -44.605164
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -4.722
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -76.096170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.096170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.096170 (E_RNA)
where:
Base-Base interactions energy: -29.345
where: short stacking energy: -24.518
Base-Backbone interact. energy: -0.797
local terms energy: -45.954044
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -218.290432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.290432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.290432 (E_RNA)
where:
Base-Base interactions energy: -142.420
where: short stacking energy: -59.110
Base-Backbone interact. energy: -0.035
local terms energy: -75.835070
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -218.801482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.801482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.801482 (E_RNA)
where:
Base-Base interactions energy: -151.075
where: short stacking energy: -60.475
Base-Backbone interact. energy: -0.002
local terms energy: -67.724522
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -212.678096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.678096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.678096 (E_RNA)
where:
Base-Base interactions energy: -139.802
where: short stacking energy: -58.767
Base-Backbone interact. energy: -0.020
local terms energy: -72.855532
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -161.650450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.650450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.650450 (E_RNA)
where:
Base-Base interactions energy: -98.453
where: short stacking energy: -51.243
Base-Backbone interact. energy: -0.370
local terms energy: -62.827566
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -8.820
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: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -95.764883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.764883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.764883 (E_RNA)
where:
Base-Base interactions energy: -38.340
where: short stacking energy: -37.832
Base-Backbone interact. energy: -0.070
local terms energy: -57.355607
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -10.407
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: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -119.404853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.404853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.404853 (E_RNA)
where:
Base-Base interactions energy: -62.362
where: short stacking energy: -30.250
Base-Backbone interact. energy: 0.344
local terms energy: -57.387028
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -4.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -88.650722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.650722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.650722 (E_RNA)
where:
Base-Base interactions energy: -34.341
where: short stacking energy: -29.704
Base-Backbone interact. energy: -0.070
local terms energy: -54.238986
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -79.145260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.145260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.145260 (E_RNA)
where:
Base-Base interactions energy: -26.558
where: short stacking energy: -26.558
Base-Backbone interact. energy: -0.310
local terms energy: -52.277887
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -8.915
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: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -78.280500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.280500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.280500 (E_RNA)
where:
Base-Base interactions energy: -30.944
where: short stacking energy: -30.944
Base-Backbone interact. energy: 1.140
local terms energy: -48.476288
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -3.516
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: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -76.816596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.816596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.816596 (E_RNA)
where:
Base-Base interactions energy: -32.062
where: short stacking energy: -31.079
Base-Backbone interact. energy: -0.007
local terms energy: -44.747623
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -0.303
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: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -219.353061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.353061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.353061 (E_RNA)
where:
Base-Base interactions energy: -143.399
where: short stacking energy: -53.587
Base-Backbone interact. energy: -0.055
local terms energy: -75.898940
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -220.115032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.115032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.115032 (E_RNA)
where:
Base-Base interactions energy: -151.818
where: short stacking energy: -55.285
Base-Backbone interact. energy: -0.477
local terms energy: -67.819594
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -211.932996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.932996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.932996 (E_RNA)
where:
Base-Base interactions energy: -139.470
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.021
local terms energy: -72.441590
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -152.899297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.899297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.899297 (E_RNA)
where:
Base-Base interactions energy: -89.017
where: short stacking energy: -47.200
Base-Backbone interact. energy: -0.011
local terms energy: -63.871136
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -13.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -107.362890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.362890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.362890 (E_RNA)
where:
Base-Base interactions energy: -46.696
where: short stacking energy: -33.421
Base-Backbone interact. energy: -0.098
local terms energy: -60.568755
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -10.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -137.706735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.706735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.706735 (E_RNA)
where:
Base-Base interactions energy: -79.485
where: short stacking energy: -48.032
Base-Backbone interact. energy: -1.251
local terms energy: -56.970283
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -88.460555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.460555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.460555 (E_RNA)
where:
Base-Base interactions energy: -28.989
where: short stacking energy: -28.989
Base-Backbone interact. energy: -0.090
local terms energy: -59.381014
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -6.918
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: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -83.655651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.655651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.655651 (E_RNA)
where:
Base-Base interactions energy: -36.883
where: short stacking energy: -33.011
Base-Backbone interact. energy: -0.339
local terms energy: -46.433326
where:
bonds (distance) C4'-P energy: -8.205
bonds (distance) P-C4' energy: -9.846
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -83.230997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.230997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.230997 (E_RNA)
where:
Base-Base interactions energy: -29.745
where: short stacking energy: -26.505
Base-Backbone interact. energy: 1.292
local terms energy: -54.777774
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -80.192489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.192489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.192489 (E_RNA)
where:
Base-Base interactions energy: -31.524
where: short stacking energy: -18.072
Base-Backbone interact. energy: -0.200
local terms energy: -48.468299
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: 0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -224.190743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.190743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.190743 (E_RNA)
where:
Base-Base interactions energy: -159.005
where: short stacking energy: -61.120
Base-Backbone interact. energy: 0.727
local terms energy: -65.912136
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -227.512524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.512524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.512524 (E_RNA)
where:
Base-Base interactions energy: -152.332
where: short stacking energy: -63.831
Base-Backbone interact. energy: 0.476
local terms energy: -75.656777
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -19.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -210.864643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.864643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.864643 (E_RNA)
where:
Base-Base interactions energy: -143.672
where: short stacking energy: -50.505
Base-Backbone interact. energy: -0.086
local terms energy: -67.106780
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -181.060619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.060619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.060619 (E_RNA)
where:
Base-Base interactions energy: -116.767
where: short stacking energy: -66.565
Base-Backbone interact. energy: -0.143
local terms energy: -64.150111
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -9.938
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -152.421709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.421709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.421709 (E_RNA)
where:
Base-Base interactions energy: -102.584
where: short stacking energy: -33.156
Base-Backbone interact. energy: 0.138
local terms energy: -49.975856
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -6.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -89.606530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.606530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.606530 (E_RNA)
where:
Base-Base interactions energy: -34.837
where: short stacking energy: -33.040
Base-Backbone interact. energy: -0.050
local terms energy: -54.720074
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -97.777729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.777729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.777729 (E_RNA)
where:
Base-Base interactions energy: -48.603
where: short stacking energy: -30.462
Base-Backbone interact. energy: 1.290
local terms energy: -50.464296
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -4.216
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: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -96.344450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.344450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.344450 (E_RNA)
where:
Base-Base interactions energy: -41.679
where: short stacking energy: -31.581
Base-Backbone interact. energy: -0.287
local terms energy: -54.378360
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -92.030319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.030319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.030319 (E_RNA)
where:
Base-Base interactions energy: -54.491
where: short stacking energy: -29.134
Base-Backbone interact. energy: -0.289
local terms energy: -37.250137
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -3.227
tors. eta vs tors. theta energy: 2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -76.821064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.821064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.821064 (E_RNA)
where:
Base-Base interactions energy: -25.383
where: short stacking energy: -23.725
Base-Backbone interact. energy: -0.018
local terms energy: -51.420423
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: 3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -218.454733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.454733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.454733 (E_RNA)
where:
Base-Base interactions energy: -147.264
where: short stacking energy: -63.180
Base-Backbone interact. energy: -0.002
local terms energy: -71.187993
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -220.700694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.700694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.700694 (E_RNA)
where:
Base-Base interactions energy: -144.294
where: short stacking energy: -52.911
Base-Backbone interact. energy: -0.102
local terms energy: -76.304453
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -18.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -207.616545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.616545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.616545 (E_RNA)
where:
Base-Base interactions energy: -145.576
where: short stacking energy: -44.149
Base-Backbone interact. energy: -0.101
local terms energy: -61.940387
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -167.771224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.771224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.771224 (E_RNA)
where:
Base-Base interactions energy: -117.391
where: short stacking energy: -50.906
Base-Backbone interact. energy: -0.309
local terms energy: -50.070984
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -152.867377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.867377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.867377 (E_RNA)
where:
Base-Base interactions energy: -85.577
where: short stacking energy: -45.859
Base-Backbone interact. energy: -0.502
local terms energy: -66.788799
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -8.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -97.665198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.665198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.665198 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -31.779
Base-Backbone interact. energy: -0.048
local terms energy: -52.475511
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -8.977
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: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -94.010727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.010727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.010727 (E_RNA)
where:
Base-Base interactions energy: -45.764
where: short stacking energy: -33.263
Base-Backbone interact. energy: 0.883
local terms energy: -49.129910
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -6.880
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: 3
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -93.306777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.306777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.306777 (E_RNA)
where:
Base-Base interactions energy: -40.307
where: short stacking energy: -29.524
Base-Backbone interact. energy: 1.037
local terms energy: -54.037535
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -9.857
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -92.894631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.894631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.894631 (E_RNA)
where:
Base-Base interactions energy: -42.060
where: short stacking energy: -37.434
Base-Backbone interact. energy: -0.108
local terms energy: -50.726328
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -71.122465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.122465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.122465 (E_RNA)
where:
Base-Base interactions energy: -24.922
where: short stacking energy: -24.922
Base-Backbone interact. energy: -0.270
local terms energy: -45.929588
where:
bonds (distance) C4'-P energy: -7.289
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -226.271830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.271830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.271830 (E_RNA)
where:
Base-Base interactions energy: -148.897
where: short stacking energy: -62.639
Base-Backbone interact. energy: -1.162
local terms energy: -76.212907
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -16.855
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: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -211.787601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.787601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.787601 (E_RNA)
where:
Base-Base interactions energy: -142.346
where: short stacking energy: -67.112
Base-Backbone interact. energy: 0.082
local terms energy: -69.522939
where:
bonds (distance) C4'-P energy: -8.916
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -17.922
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: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -205.625132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.625132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.625132 (E_RNA)
where:
Base-Base interactions energy: -136.365
where: short stacking energy: -63.833
Base-Backbone interact. energy: -0.206
local terms energy: -69.054922
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -162.742482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.742482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.742482 (E_RNA)
where:
Base-Base interactions energy: -102.894
where: short stacking energy: -46.856
Base-Backbone interact. energy: -0.094
local terms energy: -59.754278
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -161.528933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.528933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.528933 (E_RNA)
where:
Base-Base interactions energy: -98.580
where: short stacking energy: -41.188
Base-Backbone interact. energy: -0.491
local terms energy: -62.457432
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -93.008723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.008723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.008723 (E_RNA)
where:
Base-Base interactions energy: -36.702
where: short stacking energy: -32.594
Base-Backbone interact. energy: -0.123
local terms energy: -56.183501
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -108.607775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.607775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.607775 (E_RNA)
where:
Base-Base interactions energy: -52.803
where: short stacking energy: -29.136
Base-Backbone interact. energy: -0.328
local terms energy: -55.477065
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -5.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -98.726288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.726288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.726288 (E_RNA)
where:
Base-Base interactions energy: -40.772
where: short stacking energy: -40.772
Base-Backbone interact. energy: -0.120
local terms energy: -57.834134
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -81.851110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.851110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.851110 (E_RNA)
where:
Base-Base interactions energy: -39.258
where: short stacking energy: -24.314
Base-Backbone interact. energy: -0.117
local terms energy: -42.476223
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -6.166
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -80.319430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.319430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.319430 (E_RNA)
where:
Base-Base interactions energy: -34.244
where: short stacking energy: -27.899
Base-Backbone interact. energy: -0.156
local terms energy: -45.919850
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -8.611
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -6.752
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: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -223.878542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.878542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.878542 (E_RNA)
where:
Base-Base interactions energy: -153.972
where: short stacking energy: -62.001
Base-Backbone interact. energy: -0.031
local terms energy: -69.875667
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -214.266822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.266822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.266822 (E_RNA)
where:
Base-Base interactions energy: -139.259
where: short stacking energy: -61.114
Base-Backbone interact. energy: -0.268
local terms energy: -74.738945
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -17.598
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: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -199.377216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.377216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.377216 (E_RNA)
where:
Base-Base interactions energy: -128.776
where: short stacking energy: -53.283
Base-Backbone interact. energy: -0.360
local terms energy: -70.240871
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -173.573311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.573311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.573311 (E_RNA)
where:
Base-Base interactions energy: -112.116
where: short stacking energy: -48.991
Base-Backbone interact. energy: 0.130
local terms energy: -61.586997
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -138.509274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.509274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.509274 (E_RNA)
where:
Base-Base interactions energy: -79.525
where: short stacking energy: -43.599
Base-Backbone interact. energy: -0.063
local terms energy: -58.920863
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -92.558845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.558845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.558845 (E_RNA)
where:
Base-Base interactions energy: -42.339
where: short stacking energy: -36.825
Base-Backbone interact. energy: 1.714
local terms energy: -51.934018
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -88.901909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.901909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.901909 (E_RNA)
where:
Base-Base interactions energy: -35.720
where: short stacking energy: -23.518
Base-Backbone interact. energy: -1.147
local terms energy: -52.034528
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -8.051
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: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -93.059831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.059831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.059831 (E_RNA)
where:
Base-Base interactions energy: -38.233
where: short stacking energy: -31.685
Base-Backbone interact. energy: -0.082
local terms energy: -54.745352
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -11.270
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: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -80.944310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.944310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.944310 (E_RNA)
where:
Base-Base interactions energy: -25.381
where: short stacking energy: -25.381
Base-Backbone interact. energy: -0.898
local terms energy: -54.665184
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -9.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -77.314532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.314532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.314532 (E_RNA)
where:
Base-Base interactions energy: -31.420
where: short stacking energy: -16.963
Base-Backbone interact. energy: 0.187
local terms energy: -46.082197
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: 0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -230.758391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.758391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.758391 (E_RNA)
where:
Base-Base interactions energy: -160.413
where: short stacking energy: -62.300
Base-Backbone interact. energy: -0.015
local terms energy: -70.330151
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -222.671022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.671022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.671022 (E_RNA)
where:
Base-Base interactions energy: -150.486
where: short stacking energy: -67.019
Base-Backbone interact. energy: -0.067
local terms energy: -72.118193
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -17.577
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: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -217.092162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.092162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.092162 (E_RNA)
where:
Base-Base interactions energy: -145.053
where: short stacking energy: -63.714
Base-Backbone interact. energy: -0.037
local terms energy: -72.002528
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -184.474603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.474603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.474603 (E_RNA)
where:
Base-Base interactions energy: -120.158
where: short stacking energy: -58.682
Base-Backbone interact. energy: -0.190
local terms energy: -64.126867
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -14.003
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: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -105.445884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.445884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.445884 (E_RNA)
where:
Base-Base interactions energy: -53.700
where: short stacking energy: -46.049
Base-Backbone interact. energy: -0.045
local terms energy: -51.700965
where:
bonds (distance) C4'-P energy: -7.461
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -11.730
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: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -104.334242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.334242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.334242 (E_RNA)
where:
Base-Base interactions energy: -50.307
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.334
local terms energy: -53.693150
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -84.450561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.450561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.450561 (E_RNA)
where:
Base-Base interactions energy: -35.352
where: short stacking energy: -31.973
Base-Backbone interact. energy: -0.192
local terms energy: -48.907001
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -7.480
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -9.470
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: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -84.075527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.075527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.075527 (E_RNA)
where:
Base-Base interactions energy: -36.922
where: short stacking energy: -32.877
Base-Backbone interact. energy: 0.728
local terms energy: -47.882121
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -1.714
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -84.098800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.098800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.098800 (E_RNA)
where:
Base-Base interactions energy: -37.407
where: short stacking energy: -32.925
Base-Backbone interact. energy: 0.983
local terms energy: -47.674783
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -2.336
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: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -82.340899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.340899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.340899 (E_RNA)
where:
Base-Base interactions energy: -30.973
where: short stacking energy: -26.123
Base-Backbone interact. energy: -0.025
local terms energy: -51.343631
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -223.422983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.422983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.422983 (E_RNA)
where:
Base-Base interactions energy: -153.751
where: short stacking energy: -57.931
Base-Backbone interact. energy: 0.094
local terms energy: -69.766229
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -18.063
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: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -219.207936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.207936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.207936 (E_RNA)
where:
Base-Base interactions energy: -145.737
where: short stacking energy: -63.916
Base-Backbone interact. energy: -0.042
local terms energy: -73.428979
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -216.041883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.041883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.041883 (E_RNA)
where:
Base-Base interactions energy: -149.419
where: short stacking energy: -61.703
Base-Backbone interact. energy: -0.663
local terms energy: -65.960453
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -179.017535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.017535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.017535 (E_RNA)
where:
Base-Base interactions energy: -118.598
where: short stacking energy: -52.112
Base-Backbone interact. energy: -0.485
local terms energy: -59.933933
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -96.421316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.421316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.421316 (E_RNA)
where:
Base-Base interactions energy: -36.257
where: short stacking energy: -34.685
Base-Backbone interact. energy: -0.155
local terms energy: -60.008988
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -101.945029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.945029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.945029 (E_RNA)
where:
Base-Base interactions energy: -44.129
where: short stacking energy: -43.607
Base-Backbone interact. energy: -0.022
local terms energy: -57.793555
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -10.119
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: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -90.299230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.299230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.299230 (E_RNA)
where:
Base-Base interactions energy: -35.870
where: short stacking energy: -22.961
Base-Backbone interact. energy: -0.092
local terms energy: -54.337279
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -9.454
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: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -85.520113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.520113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.520113 (E_RNA)
where:
Base-Base interactions energy: -32.629
where: short stacking energy: -31.665
Base-Backbone interact. energy: -0.142
local terms energy: -52.748944
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -79.661140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.661140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.661140 (E_RNA)
where:
Base-Base interactions energy: -33.079
where: short stacking energy: -33.079
Base-Backbone interact. energy: -0.010
local terms energy: -46.571996
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -3.649
tors. eta vs tors. theta energy: -8.506
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: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -71.987412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.987412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.987412 (E_RNA)
where:
Base-Base interactions energy: -20.773
where: short stacking energy: -20.773
Base-Backbone interact. energy: -0.146
local terms energy: -51.067876
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: 2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -223.581254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.581254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.581254 (E_RNA)
where:
Base-Base interactions energy: -148.599
where: short stacking energy: -58.672
Base-Backbone interact. energy: -0.085
local terms energy: -74.897230
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -209.965273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.965273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.965273 (E_RNA)
where:
Base-Base interactions energy: -136.487
where: short stacking energy: -56.892
Base-Backbone interact. energy: -0.171
local terms energy: -73.308084
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -223.941363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.941363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.941363 (E_RNA)
where:
Base-Base interactions energy: -149.971
where: short stacking energy: -61.932
Base-Backbone interact. energy: -0.955
local terms energy: -73.014718
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -171.105224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.105224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.105224 (E_RNA)
where:
Base-Base interactions energy: -111.260
where: short stacking energy: -46.603
Base-Backbone interact. energy: -0.620
local terms energy: -59.224965
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -6.081
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: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -98.271591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.271591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.271591 (E_RNA)
where:
Base-Base interactions energy: -37.638
where: short stacking energy: -35.072
Base-Backbone interact. energy: 2.236
local terms energy: -62.869624
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -91.687358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.687358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.687358 (E_RNA)
where:
Base-Base interactions energy: -34.349
where: short stacking energy: -30.985
Base-Backbone interact. energy: -0.123
local terms energy: -57.215624
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -103.548783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.548783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.548783 (E_RNA)
where:
Base-Base interactions energy: -40.294
where: short stacking energy: -40.294
Base-Backbone interact. energy: -0.096
local terms energy: -63.158776
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -8.241
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: 122
Temperature: 1.250000
Total energy: -82.413449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.413449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.413449 (E_RNA)
where:
Base-Base interactions energy: -45.159
where: short stacking energy: -30.452
Base-Backbone interact. energy: 3.233
local terms energy: -40.487017
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -7.971
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: 0.991
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: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -79.397917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.397917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.397917 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -24.828
Base-Backbone interact. energy: -0.237
local terms energy: -43.425877
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: 3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -74.900068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.900068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.900068 (E_RNA)
where:
Base-Base interactions energy: -33.514
where: short stacking energy: -17.065
Base-Backbone interact. energy: -0.477
local terms energy: -40.909175
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -6.800
flat angles P-C4'-P energy: -2.380
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -222.889871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.889871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.889871 (E_RNA)
where:
Base-Base interactions energy: -152.367
where: short stacking energy: -63.980
Base-Backbone interact. energy: -0.343
local terms energy: -70.179915
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -220.564475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.564475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.564475 (E_RNA)
where:
Base-Base interactions energy: -150.500
where: short stacking energy: -64.019
Base-Backbone interact. energy: -0.002
local terms energy: -70.061946
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -215.151410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.151410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.151410 (E_RNA)
where:
Base-Base interactions energy: -142.905
where: short stacking energy: -60.617
Base-Backbone interact. energy: -0.110
local terms energy: -72.136364
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -175.355152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.355152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.355152 (E_RNA)
where:
Base-Base interactions energy: -110.291
where: short stacking energy: -39.472
Base-Backbone interact. energy: -0.101
local terms energy: -64.962698
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -11.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -92.481712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.481712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.481712 (E_RNA)
where:
Base-Base interactions energy: -42.955
where: short stacking energy: -39.950
Base-Backbone interact. energy: -0.134
local terms energy: -49.393074
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -92.734200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.734200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.734200 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -36.391
Base-Backbone interact. energy: -0.958
local terms energy: -54.589062
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -10.891
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: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -88.756899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.756899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.756899 (E_RNA)
where:
Base-Base interactions energy: -35.033
where: short stacking energy: -35.033
Base-Backbone interact. energy: -1.066
local terms energy: -52.657747
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -5.345
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: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -138.575679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.575679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.575679 (E_RNA)
where:
Base-Base interactions energy: -81.753
where: short stacking energy: -41.045
Base-Backbone interact. energy: -0.042
local terms energy: -56.781170
where:
bonds (distance) C4'-P energy: -7.088
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -11.727
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: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -74.654832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.654832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.654832 (E_RNA)
where:
Base-Base interactions energy: -32.033
where: short stacking energy: -29.824
Base-Backbone interact. energy: -0.550
local terms energy: -42.072592
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -8.342
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -84.228253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.228253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.228253 (E_RNA)
where:
Base-Base interactions energy: -29.378
where: short stacking energy: -29.319
Base-Backbone interact. energy: -0.115
local terms energy: -54.735588
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -221.747426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.747426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.747426 (E_RNA)
where:
Base-Base interactions energy: -152.320
where: short stacking energy: -60.136
Base-Backbone interact. energy: -0.057
local terms energy: -69.369966
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -222.910772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.910772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.910772 (E_RNA)
where:
Base-Base interactions energy: -149.679
where: short stacking energy: -57.639
Base-Backbone interact. energy: -0.142
local terms energy: -73.089625
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -13.020
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: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -209.924023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.924023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.924023 (E_RNA)
where:
Base-Base interactions energy: -138.733
where: short stacking energy: -67.990
Base-Backbone interact. energy: 0.354
local terms energy: -71.545275
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -169.023543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.023543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.023543 (E_RNA)
where:
Base-Base interactions energy: -105.523
where: short stacking energy: -49.056
Base-Backbone interact. energy: -0.206
local terms energy: -63.294351
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -8.921
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -10.678
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: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -94.888418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.888418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.888418 (E_RNA)
where:
Base-Base interactions energy: -38.979
where: short stacking energy: -35.816
Base-Backbone interact. energy: -0.146
local terms energy: -55.763413
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -7.713
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -96.957359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.957359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.957359 (E_RNA)
where:
Base-Base interactions energy: -52.387
where: short stacking energy: -36.490
Base-Backbone interact. energy: -0.206
local terms energy: -44.364512
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -1.913
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: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -150.302657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.302657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.302657 (E_RNA)
where:
Base-Base interactions energy: -93.648
where: short stacking energy: -44.962
Base-Backbone interact. energy: -0.285
local terms energy: -56.369568
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -11.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -95.343666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.343666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.343666 (E_RNA)
where:
Base-Base interactions energy: -39.610
where: short stacking energy: -32.807
Base-Backbone interact. energy: -0.011
local terms energy: -55.723208
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -85.088077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.088077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.088077 (E_RNA)
where:
Base-Base interactions energy: -30.224
where: short stacking energy: -23.587
Base-Backbone interact. energy: -0.756
local terms energy: -54.108798
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -78.401462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.401462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.401462 (E_RNA)
where:
Base-Base interactions energy: -33.033
where: short stacking energy: -21.507
Base-Backbone interact. energy: -0.628
local terms energy: -44.740178
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -221.874488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.874488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.874488 (E_RNA)
where:
Base-Base interactions energy: -150.238
where: short stacking energy: -57.416
Base-Backbone interact. energy: -0.012
local terms energy: -71.624462
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -218.011530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.011530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.011530 (E_RNA)
where:
Base-Base interactions energy: -141.423
where: short stacking energy: -57.636
Base-Backbone interact. energy: -0.027
local terms energy: -76.561084
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -17.182
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: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -213.625930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.625930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.625930 (E_RNA)
where:
Base-Base interactions energy: -142.450
where: short stacking energy: -59.479
Base-Backbone interact. energy: -0.117
local terms energy: -71.058379
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -21.774
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: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -158.184226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.184226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.184226 (E_RNA)
where:
Base-Base interactions energy: -93.881
where: short stacking energy: -45.702
Base-Backbone interact. energy: -0.831
local terms energy: -63.472373
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -12.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -118.928286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.928286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.928286 (E_RNA)
where:
Base-Base interactions energy: -69.150
where: short stacking energy: -39.148
Base-Backbone interact. energy: -0.190
local terms energy: -49.587687
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -2.118
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -137.133428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.133428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.133428 (E_RNA)
where:
Base-Base interactions energy: -79.190
where: short stacking energy: -36.039
Base-Backbone interact. energy: -0.104
local terms energy: -57.839297
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -97.852294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.852294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.852294 (E_RNA)
where:
Base-Base interactions energy: -50.667
where: short stacking energy: -32.221
Base-Backbone interact. energy: 0.966
local terms energy: -48.151716
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -86.379387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.379387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.379387 (E_RNA)
where:
Base-Base interactions energy: -29.409
where: short stacking energy: -24.093
Base-Backbone interact. energy: -1.301
local terms energy: -55.669924
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -5.707
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: 125
Temperature: 1.300000
Total energy: -93.365180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.365180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.365180 (E_RNA)
where:
Base-Base interactions energy: -45.841
where: short stacking energy: -19.401
Base-Backbone interact. energy: -0.242
local terms energy: -47.282428
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -4.040
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: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -88.053565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.053565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.053565 (E_RNA)
where:
Base-Base interactions energy: -28.966
where: short stacking energy: -23.398
Base-Backbone interact. energy: -0.344
local terms energy: -58.743597
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -222.538918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.538918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.538918 (E_RNA)
where:
Base-Base interactions energy: -148.993
where: short stacking energy: -70.723
Base-Backbone interact. energy: -0.319
local terms energy: -73.227050
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -17.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -221.488776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.488776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.488776 (E_RNA)
where:
Base-Base interactions energy: -150.109
where: short stacking energy: -60.363
Base-Backbone interact. energy: 2.145
local terms energy: -73.525124
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -16.715
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: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -214.370031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.370031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.370031 (E_RNA)
where:
Base-Base interactions energy: -148.423
where: short stacking energy: -68.236
Base-Backbone interact. energy: -0.072
local terms energy: -65.875148
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -16.602
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: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -171.453287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.453287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.453287 (E_RNA)
where:
Base-Base interactions energy: -103.518
where: short stacking energy: -49.871
Base-Backbone interact. energy: -0.202
local terms energy: -67.733128
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -174.663958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.663958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.663958 (E_RNA)
where:
Base-Base interactions energy: -113.360
where: short stacking energy: -51.459
Base-Backbone interact. energy: -0.503
local terms energy: -60.801521
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -135.708584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.708584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.708584 (E_RNA)
where:
Base-Base interactions energy: -74.297
where: short stacking energy: -38.528
Base-Backbone interact. energy: -0.306
local terms energy: -61.105697
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -14.462
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: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -91.756708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.756708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.756708 (E_RNA)
where:
Base-Base interactions energy: -32.953
where: short stacking energy: -26.279
Base-Backbone interact. energy: -0.537
local terms energy: -58.267117
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -10.686
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: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -86.869893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.869893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.869893 (E_RNA)
where:
Base-Base interactions energy: -47.049
where: short stacking energy: -28.346
Base-Backbone interact. energy: -0.114
local terms energy: -39.707027
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: 1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -79.858651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.858651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.858651 (E_RNA)
where:
Base-Base interactions energy: -30.612
where: short stacking energy: -12.833
Base-Backbone interact. energy: -0.178
local terms energy: -49.068580
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: 0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -72.932558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.932558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.932558 (E_RNA)
where:
Base-Base interactions energy: -21.033
where: short stacking energy: -21.033
Base-Backbone interact. energy: -0.540
local terms energy: -51.359852
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: 0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -225.515118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.515118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.515118 (E_RNA)
where:
Base-Base interactions energy: -152.902
where: short stacking energy: -64.539
Base-Backbone interact. energy: -1.484
local terms energy: -71.129560
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -12.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -220.729219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.729219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.729219 (E_RNA)
where:
Base-Base interactions energy: -153.717
where: short stacking energy: -61.347
Base-Backbone interact. energy: -0.262
local terms energy: -66.749662
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -15.892
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: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -202.095045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.095045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.095045 (E_RNA)
where:
Base-Base interactions energy: -133.579
where: short stacking energy: -55.148
Base-Backbone interact. energy: -0.558
local terms energy: -67.957745
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -177.142388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.142388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.142388 (E_RNA)
where:
Base-Base interactions energy: -111.595
where: short stacking energy: -41.020
Base-Backbone interact. energy: -0.467
local terms energy: -65.080616
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -12.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -171.169459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.169459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.169459 (E_RNA)
where:
Base-Base interactions energy: -104.334
where: short stacking energy: -45.331
Base-Backbone interact. energy: -0.271
local terms energy: -66.564864
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -14.862
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: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -150.969079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.969079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.969079 (E_RNA)
where:
Base-Base interactions energy: -85.185
where: short stacking energy: -40.436
Base-Backbone interact. energy: -0.340
local terms energy: -65.444243
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -88.155439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.155439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.155439 (E_RNA)
where:
Base-Base interactions energy: -36.951
where: short stacking energy: -16.356
Base-Backbone interact. energy: 0.313
local terms energy: -51.517540
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -2.954
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -93.712404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.712404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.712404 (E_RNA)
where:
Base-Base interactions energy: -37.191
where: short stacking energy: -37.191
Base-Backbone interact. energy: -0.076
local terms energy: -56.444662
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -96.539054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.539054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.539054 (E_RNA)
where:
Base-Base interactions energy: -42.962
where: short stacking energy: -33.330
Base-Backbone interact. energy: -0.189
local terms energy: -53.387960
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -7.406
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: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -88.337663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.337663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.337663 (E_RNA)
where:
Base-Base interactions energy: -31.024
where: short stacking energy: -31.024
Base-Backbone interact. energy: -0.029
local terms energy: -57.285272
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -221.761466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.761466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.761466 (E_RNA)
where:
Base-Base interactions energy: -141.969
where: short stacking energy: -58.004
Base-Backbone interact. energy: -0.141
local terms energy: -79.651604
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -231.544350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.544350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.544350 (E_RNA)
where:
Base-Base interactions energy: -148.783
where: short stacking energy: -63.513
Base-Backbone interact. energy: -0.186
local terms energy: -82.576170
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -217.300000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.300000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.300000 (E_RNA)
where:
Base-Base interactions energy: -142.763
where: short stacking energy: -55.722
Base-Backbone interact. energy: -0.004
local terms energy: -74.532545
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -175.831037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.831037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.831037 (E_RNA)
where:
Base-Base interactions energy: -111.615
where: short stacking energy: -63.766
Base-Backbone interact. energy: -0.060
local terms energy: -64.156134
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -17.164
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: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -173.882874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.882874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.882874 (E_RNA)
where:
Base-Base interactions energy: -113.428
where: short stacking energy: -49.296
Base-Backbone interact. energy: -0.024
local terms energy: -60.431099
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -162.988608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.988608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.988608 (E_RNA)
where:
Base-Base interactions energy: -113.374
where: short stacking energy: -38.138
Base-Backbone interact. energy: -0.358
local terms energy: -49.257217
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -82.392763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.392763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.392763 (E_RNA)
where:
Base-Base interactions energy: -31.631
where: short stacking energy: -26.063
Base-Backbone interact. energy: -0.745
local terms energy: -50.016235
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -84.432067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.432067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.432067 (E_RNA)
where:
Base-Base interactions energy: -31.614
where: short stacking energy: -28.600
Base-Backbone interact. energy: 1.105
local terms energy: -53.923242
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -8.201
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: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -79.808610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.808610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.808610 (E_RNA)
where:
Base-Base interactions energy: -36.347
where: short stacking energy: -21.005
Base-Backbone interact. energy: -0.275
local terms energy: -43.186578
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -4.206
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: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -91.923553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.923553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.923553 (E_RNA)
where:
Base-Base interactions energy: -39.618
where: short stacking energy: -33.648
Base-Backbone interact. energy: -0.245
local terms energy: -52.060517
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -5.656
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: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -218.648814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.648814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.648814 (E_RNA)
where:
Base-Base interactions energy: -149.179
where: short stacking energy: -48.890
Base-Backbone interact. energy: -0.664
local terms energy: -68.805602
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -221.502395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.502395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.502395 (E_RNA)
where:
Base-Base interactions energy: -152.085
where: short stacking energy: -57.453
Base-Backbone interact. energy: -0.035
local terms energy: -69.382709
where:
bonds (distance) C4'-P energy: -8.466
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -211.696727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.696727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.696727 (E_RNA)
where:
Base-Base interactions energy: -143.145
where: short stacking energy: -62.697
Base-Backbone interact. energy: -0.856
local terms energy: -67.696454
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -172.007341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.007341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.007341 (E_RNA)
where:
Base-Base interactions energy: -114.511
where: short stacking energy: -50.877
Base-Backbone interact. energy: -0.115
local terms energy: -57.381238
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -7.517
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -12.458
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: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -153.045530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.045530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.045530 (E_RNA)
where:
Base-Base interactions energy: -98.856
where: short stacking energy: -48.994
Base-Backbone interact. energy: -0.350
local terms energy: -53.839578
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -10.192
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: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -193.635619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.635619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.635619 (E_RNA)
where:
Base-Base interactions energy: -122.692
where: short stacking energy: -59.895
Base-Backbone interact. energy: -0.025
local terms energy: -70.918559
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -17.451
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: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -112.452836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.452836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.452836 (E_RNA)
where:
Base-Base interactions energy: -57.308
where: short stacking energy: -41.182
Base-Backbone interact. energy: 0.528
local terms energy: -55.673294
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -87.865624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.865624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.865624 (E_RNA)
where:
Base-Base interactions energy: -34.046
where: short stacking energy: -25.583
Base-Backbone interact. energy: -0.283
local terms energy: -53.536751
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -6.431
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: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -78.231666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.231666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.231666 (E_RNA)
where:
Base-Base interactions energy: -28.174
where: short stacking energy: -28.174
Base-Backbone interact. energy: -0.089
local terms energy: -49.968678
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -74.246711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.246711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.246711 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -28.212
Base-Backbone interact. energy: -0.055
local terms energy: -44.752638
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -6.928
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -230.730186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.730186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.730186 (E_RNA)
where:
Base-Base interactions energy: -161.117
where: short stacking energy: -67.667
Base-Backbone interact. energy: -0.968
local terms energy: -68.646030
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -211.543972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.543972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.543972 (E_RNA)
where:
Base-Base interactions energy: -142.340
where: short stacking energy: -60.192
Base-Backbone interact. energy: -0.089
local terms energy: -69.114334
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -209.615642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.615642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.615642 (E_RNA)
where:
Base-Base interactions energy: -132.767
where: short stacking energy: -50.291
Base-Backbone interact. energy: -1.308
local terms energy: -75.540259
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -180.790811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.790811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.790811 (E_RNA)
where:
Base-Base interactions energy: -115.399
where: short stacking energy: -52.601
Base-Backbone interact. energy: -0.118
local terms energy: -65.274024
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -12.690
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: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -196.235966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.235966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.235966 (E_RNA)
where:
Base-Base interactions energy: -138.515
where: short stacking energy: -50.750
Base-Backbone interact. energy: -0.069
local terms energy: -57.652046
where:
bonds (distance) C4'-P energy: -6.423
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -14.962
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: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -183.243919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.243919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.243919 (E_RNA)
where:
Base-Base interactions energy: -122.234
where: short stacking energy: -43.179
Base-Backbone interact. energy: -0.340
local terms energy: -60.670116
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -7.320
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: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -162.567489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.567489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.567489 (E_RNA)
where:
Base-Base interactions energy: -87.839
where: short stacking energy: -39.453
Base-Backbone interact. energy: -0.222
local terms energy: -74.506959
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -84.257421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.257421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.257421 (E_RNA)
where:
Base-Base interactions energy: -37.687
where: short stacking energy: -32.516
Base-Backbone interact. energy: -0.084
local terms energy: -46.487261
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -2.260
tors. eta vs tors. theta energy: 0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -76.820802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.820802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.820802 (E_RNA)
where:
Base-Base interactions energy: -25.287
where: short stacking energy: -22.559
Base-Backbone interact. energy: -0.690
local terms energy: -50.843533
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: 1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -75.507310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.507310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.507310 (E_RNA)
where:
Base-Base interactions energy: -33.397
where: short stacking energy: -28.296
Base-Backbone interact. energy: 2.772
local terms energy: -44.882524
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -7.575
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -3.614
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: 131
Temperature: 0.900000
Total energy: -228.300359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.300359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.300359 (E_RNA)
where:
Base-Base interactions energy: -159.636
where: short stacking energy: -54.322
Base-Backbone interact. energy: -0.019
local terms energy: -68.645372
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -213.352170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.352170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.352170 (E_RNA)
where:
Base-Base interactions energy: -138.592
where: short stacking energy: -63.050
Base-Backbone interact. energy: -0.096
local terms energy: -74.664357
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -223.476632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.476632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.476632 (E_RNA)
where:
Base-Base interactions energy: -140.652
where: short stacking energy: -70.977
Base-Backbone interact. energy: -0.833
local terms energy: -81.991157
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -23.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -204.626007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.626007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.626007 (E_RNA)
where:
Base-Base interactions energy: -134.285
where: short stacking energy: -56.026
Base-Backbone interact. energy: -1.387
local terms energy: -68.954117
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -176.233502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.233502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.233502 (E_RNA)
where:
Base-Base interactions energy: -107.716
where: short stacking energy: -52.088
Base-Backbone interact. energy: -0.008
local terms energy: -68.509158
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -12.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -186.643531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.643531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.643531 (E_RNA)
where:
Base-Base interactions energy: -121.081
where: short stacking energy: -55.118
Base-Backbone interact. energy: -0.012
local terms energy: -65.550024
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -12.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -199.376592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.376592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.376592 (E_RNA)
where:
Base-Base interactions energy: -146.538
where: short stacking energy: -50.968
Base-Backbone interact. energy: -0.077
local terms energy: -52.760844
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -5.013
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -12.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -109.369874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.369874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.369874 (E_RNA)
where:
Base-Base interactions energy: -57.895
where: short stacking energy: -29.863
Base-Backbone interact. energy: -0.099
local terms energy: -51.376004
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -9.239
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.072
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: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -73.994028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.994028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.994028 (E_RNA)
where:
Base-Base interactions energy: -23.035
where: short stacking energy: -19.724
Base-Backbone interact. energy: 0.206
local terms energy: -51.164294
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -85.011039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.011039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.011039 (E_RNA)
where:
Base-Base interactions energy: -40.544
where: short stacking energy: -28.831
Base-Backbone interact. energy: -0.164
local terms energy: -44.303333
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -8.099
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -2.853
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -224.379220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.379220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.379220 (E_RNA)
where:
Base-Base interactions energy: -145.572
where: short stacking energy: -69.142
Base-Backbone interact. energy: -0.735
local terms energy: -78.072298
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -224.902566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.902566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.902566 (E_RNA)
where:
Base-Base interactions energy: -146.465
where: short stacking energy: -63.127
Base-Backbone interact. energy: -0.037
local terms energy: -78.400587
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -17.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -216.273700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.273700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.273700 (E_RNA)
where:
Base-Base interactions energy: -149.792
where: short stacking energy: -48.992
Base-Backbone interact. energy: 0.027
local terms energy: -66.508861
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -13.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -206.463317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.463317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.463317 (E_RNA)
where:
Base-Base interactions energy: -131.289
where: short stacking energy: -59.100
Base-Backbone interact. energy: -0.003
local terms energy: -75.171782
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -213.159694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.159694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.159694 (E_RNA)
where:
Base-Base interactions energy: -142.541
where: short stacking energy: -60.316
Base-Backbone interact. energy: -0.470
local terms energy: -70.149579
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -168.605407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.605407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.605407 (E_RNA)
where:
Base-Base interactions energy: -99.189
where: short stacking energy: -51.208
Base-Backbone interact. energy: -0.001
local terms energy: -69.414985
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -187.928696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.928696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.928696 (E_RNA)
where:
Base-Base interactions energy: -126.677
where: short stacking energy: -62.307
Base-Backbone interact. energy: -0.259
local terms energy: -60.992970
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -13.080
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: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -132.568307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.568307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.568307 (E_RNA)
where:
Base-Base interactions energy: -76.432
where: short stacking energy: -36.217
Base-Backbone interact. energy: -0.071
local terms energy: -56.065299
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: -8.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -81.437706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.437706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.437706 (E_RNA)
where:
Base-Base interactions energy: -30.993
where: short stacking energy: -27.311
Base-Backbone interact. energy: -0.061
local terms energy: -50.383704
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -3.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -74.967354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.967354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.967354 (E_RNA)
where:
Base-Base interactions energy: -30.478
where: short stacking energy: -14.860
Base-Backbone interact. energy: -0.452
local terms energy: -44.037324
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: 2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -214.524490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.524490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.524490 (E_RNA)
where:
Base-Base interactions energy: -148.948
where: short stacking energy: -66.907
Base-Backbone interact. energy: -0.291
local terms energy: -65.284982
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -226.628644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.628644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.628644 (E_RNA)
where:
Base-Base interactions energy: -156.287
where: short stacking energy: -50.326
Base-Backbone interact. energy: -0.244
local terms energy: -70.098185
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -17.335
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: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -213.960101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.960101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.960101 (E_RNA)
where:
Base-Base interactions energy: -143.589
where: short stacking energy: -58.837
Base-Backbone interact. energy: -0.043
local terms energy: -70.328047
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -212.236572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.236572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.236572 (E_RNA)
where:
Base-Base interactions energy: -145.359
where: short stacking energy: -55.080
Base-Backbone interact. energy: -0.015
local terms energy: -66.862918
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -14.933
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: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -209.998321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.998321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.998321 (E_RNA)
where:
Base-Base interactions energy: -141.778
where: short stacking energy: -58.282
Base-Backbone interact. energy: -0.137
local terms energy: -68.083890
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -182.616649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.616649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.616649 (E_RNA)
where:
Base-Base interactions energy: -116.090
where: short stacking energy: -53.629
Base-Backbone interact. energy: -0.181
local terms energy: -66.345408
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -10.597
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: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -140.202110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.202110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.202110 (E_RNA)
where:
Base-Base interactions energy: -86.235
where: short stacking energy: -36.679
Base-Backbone interact. energy: -0.229
local terms energy: -53.737792
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -9.285
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: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -114.676287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.676287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.676287 (E_RNA)
where:
Base-Base interactions energy: -66.721
where: short stacking energy: -24.987
Base-Backbone interact. energy: -0.295
local terms energy: -47.659539
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: 0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -87.838618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.838618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.838618 (E_RNA)
where:
Base-Base interactions energy: -35.680
where: short stacking energy: -34.955
Base-Backbone interact. energy: 1.050
local terms energy: -53.209084
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -7.511
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: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -81.295006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.295006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.295006 (E_RNA)
where:
Base-Base interactions energy: -27.104
where: short stacking energy: -25.839
Base-Backbone interact. energy: -0.148
local terms energy: -54.042737
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -2.187
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -221.802322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.802322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.802322 (E_RNA)
where:
Base-Base interactions energy: -150.575
where: short stacking energy: -52.168
Base-Backbone interact. energy: -0.393
local terms energy: -70.834265
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -220.809010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.809010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.809010 (E_RNA)
where:
Base-Base interactions energy: -143.895
where: short stacking energy: -66.571
Base-Backbone interact. energy: -0.290
local terms energy: -76.624157
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -8.859
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -213.190783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.190783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.190783 (E_RNA)
where:
Base-Base interactions energy: -144.004
where: short stacking energy: -61.057
Base-Backbone interact. energy: -0.842
local terms energy: -68.344742
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -204.655846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.655846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.655846 (E_RNA)
where:
Base-Base interactions energy: -123.947
where: short stacking energy: -53.615
Base-Backbone interact. energy: -0.046
local terms energy: -80.663537
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -20.058
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: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -192.545874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.545874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.545874 (E_RNA)
where:
Base-Base interactions energy: -138.448
where: short stacking energy: -55.093
Base-Backbone interact. energy: -0.068
local terms energy: -54.030623
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -16.160
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: 134
Temperature: 1.150000
Total energy: -174.994165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.994165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.994165 (E_RNA)
where:
Base-Base interactions energy: -111.378
where: short stacking energy: -37.994
Base-Backbone interact. energy: -0.056
local terms energy: -63.559919
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -11.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -92.813524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.813524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.813524 (E_RNA)
where:
Base-Base interactions energy: -35.632
where: short stacking energy: -23.711
Base-Backbone interact. energy: -0.169
local terms energy: -57.012795
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -6.812
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: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -127.201243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.201243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.201243 (E_RNA)
where:
Base-Base interactions energy: -68.758
where: short stacking energy: -34.197
Base-Backbone interact. energy: -0.445
local terms energy: -57.997423
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -85.147535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.147535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.147535 (E_RNA)
where:
Base-Base interactions energy: -41.216
where: short stacking energy: -24.756
Base-Backbone interact. energy: -0.616
local terms energy: -43.315235
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -9.816
flat angles C4'-P-C4' energy: -8.691
flat angles P-C4'-P energy: -11.064
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: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -83.137737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.137737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.137737 (E_RNA)
where:
Base-Base interactions energy: -31.168
where: short stacking energy: -30.899
Base-Backbone interact. energy: -0.590
local terms energy: -51.379832
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -236.428273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.428273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.428273 (E_RNA)
where:
Base-Base interactions energy: -163.173
where: short stacking energy: -51.550
Base-Backbone interact. energy: -0.127
local terms energy: -73.128174
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -220.827449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.827449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.827449 (E_RNA)
where:
Base-Base interactions energy: -153.910
where: short stacking energy: -57.493
Base-Backbone interact. energy: -0.109
local terms energy: -66.808761
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -18.803
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: 135
Temperature: 1.000000
Total energy: -204.148133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.148133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.148133 (E_RNA)
where:
Base-Base interactions energy: -127.186
where: short stacking energy: -50.390
Base-Backbone interact. energy: -0.113
local terms energy: -76.849186
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -212.864977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.864977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.864977 (E_RNA)
where:
Base-Base interactions energy: -136.437
where: short stacking energy: -68.019
Base-Backbone interact. energy: -0.007
local terms energy: -76.421042
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -199.165923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.165923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.165923 (E_RNA)
where:
Base-Base interactions energy: -129.815
where: short stacking energy: -56.995
Base-Backbone interact. energy: -0.176
local terms energy: -69.174713
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -102.647578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.647578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.647578 (E_RNA)
where:
Base-Base interactions energy: -50.788
where: short stacking energy: -31.789
Base-Backbone interact. energy: 0.520
local terms energy: -52.379732
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -7.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -199.552048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.552048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.552048 (E_RNA)
where:
Base-Base interactions energy: -132.143
where: short stacking energy: -43.215
Base-Backbone interact. energy: -0.399
local terms energy: -67.009927
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -17.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -88.270716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.270716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.270716 (E_RNA)
where:
Base-Base interactions energy: -37.969
where: short stacking energy: -26.839
Base-Backbone interact. energy: -0.054
local terms energy: -50.247256
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -8.440
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: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -91.067446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.067446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.067446 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -31.153
Base-Backbone interact. energy: -0.061
local terms energy: -53.900555
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -8.357
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: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -76.358881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.358881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.358881 (E_RNA)
where:
Base-Base interactions energy: -33.333
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.215
local terms energy: -42.810557
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: 1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -231.503688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.503688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.503688 (E_RNA)
where:
Base-Base interactions energy: -161.530
where: short stacking energy: -49.031
Base-Backbone interact. energy: -0.103
local terms energy: -69.870932
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -14.149
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: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -219.511681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.511681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.511681 (E_RNA)
where:
Base-Base interactions energy: -142.680
where: short stacking energy: -72.118
Base-Backbone interact. energy: 0.669
local terms energy: -77.501326
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -21.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -207.713680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.713680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.713680 (E_RNA)
where:
Base-Base interactions energy: -141.197
where: short stacking energy: -58.631
Base-Backbone interact. energy: -1.754
local terms energy: -64.763210
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -19.875
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: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -205.311853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.311853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.311853 (E_RNA)
where:
Base-Base interactions energy: -133.884
where: short stacking energy: -55.897
Base-Backbone interact. energy: -0.804
local terms energy: -70.623712
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -162.970251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.970251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.970251 (E_RNA)
where:
Base-Base interactions energy: -97.607
where: short stacking energy: -53.974
Base-Backbone interact. energy: -0.448
local terms energy: -64.914640
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -119.815521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.815521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.815521 (E_RNA)
where:
Base-Base interactions energy: -53.023
where: short stacking energy: -53.023
Base-Backbone interact. energy: -0.015
local terms energy: -66.777870
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -10.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -162.197798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.197798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.197798 (E_RNA)
where:
Base-Base interactions energy: -107.894
where: short stacking energy: -42.493
Base-Backbone interact. energy: -0.329
local terms energy: -53.975131
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -9.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -97.266864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.266864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.266864 (E_RNA)
where:
Base-Base interactions energy: -52.302
where: short stacking energy: -26.652
Base-Backbone interact. energy: -0.372
local terms energy: -44.593500
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -85.260308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.260308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.260308 (E_RNA)
where:
Base-Base interactions energy: -38.103
where: short stacking energy: -32.557
Base-Backbone interact. energy: -0.187
local terms energy: -46.970867
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -85.327364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.327364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.327364 (E_RNA)
where:
Base-Base interactions energy: -30.394
where: short stacking energy: -24.925
Base-Backbone interact. energy: -0.214
local terms energy: -54.719381
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -229.396831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.396831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.396831 (E_RNA)
where:
Base-Base interactions energy: -155.106
where: short stacking energy: -47.659
Base-Backbone interact. energy: -0.329
local terms energy: -73.962340
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -216.876528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.876528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.876528 (E_RNA)
where:
Base-Base interactions energy: -142.855
where: short stacking energy: -56.855
Base-Backbone interact. energy: 0.117
local terms energy: -74.138586
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -224.462649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.462649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.462649 (E_RNA)
where:
Base-Base interactions energy: -152.143
where: short stacking energy: -66.555
Base-Backbone interact. energy: -0.241
local terms energy: -72.078435
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -205.690765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.690765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.690765 (E_RNA)
where:
Base-Base interactions energy: -134.789
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.634
local terms energy: -70.267131
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -18.782
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: 137
Temperature: 1.100000
Total energy: -162.110496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.110496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.110496 (E_RNA)
where:
Base-Base interactions energy: -90.222
where: short stacking energy: -47.527
Base-Backbone interact. energy: -0.309
local terms energy: -71.579172
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -11.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -190.466007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.466007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.466007 (E_RNA)
where:
Base-Base interactions energy: -131.091
where: short stacking energy: -56.647
Base-Backbone interact. energy: -0.106
local terms energy: -59.269304
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -94.933832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.933832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.933832 (E_RNA)
where:
Base-Base interactions energy: -43.114
where: short stacking energy: -43.114
Base-Backbone interact. energy: -0.019
local terms energy: -51.801181
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -2.935
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: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -87.651338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.651338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.651338 (E_RNA)
where:
Base-Base interactions energy: -35.032
where: short stacking energy: -34.977
Base-Backbone interact. energy: -0.050
local terms energy: -52.569388
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -10.153
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: 9, replica: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -85.817353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.817353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.817353 (E_RNA)
where:
Base-Base interactions energy: -42.134
where: short stacking energy: -27.121
Base-Backbone interact. energy: -0.350
local terms energy: -43.333231
where:
bonds (distance) C4'-P energy: -7.375
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -75.866582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.866582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.866582 (E_RNA)
where:
Base-Base interactions energy: -21.251
where: short stacking energy: -19.174
Base-Backbone interact. energy: -0.308
local terms energy: -54.307404
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -230.248363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.248363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.248363 (E_RNA)
where:
Base-Base interactions energy: -155.586
where: short stacking energy: -54.837
Base-Backbone interact. energy: -0.144
local terms energy: -74.518872
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -217.668450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.668450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.668450 (E_RNA)
where:
Base-Base interactions energy: -137.632
where: short stacking energy: -68.993
Base-Backbone interact. energy: 0.078
local terms energy: -80.114840
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -22.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -223.956732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.956732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.956732 (E_RNA)
where:
Base-Base interactions energy: -159.359
where: short stacking energy: -67.895
Base-Backbone interact. energy: -0.023
local terms energy: -64.574993
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -8.406
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -190.291784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.291784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.291784 (E_RNA)
where:
Base-Base interactions energy: -123.858
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.094
local terms energy: -66.340508
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -196.386574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.386574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.386574 (E_RNA)
where:
Base-Base interactions energy: -127.209
where: short stacking energy: -42.622
Base-Backbone interact. energy: -0.237
local terms energy: -68.939734
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -12.398
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: 6, replica: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -181.123141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.123141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.123141 (E_RNA)
where:
Base-Base interactions energy: -124.838
where: short stacking energy: -46.117
Base-Backbone interact. energy: 1.556
local terms energy: -57.840949
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -10.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -100.641405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.641405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.641405 (E_RNA)
where:
Base-Base interactions energy: -36.516
where: short stacking energy: -36.516
Base-Backbone interact. energy: -0.004
local terms energy: -64.121034
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -13.019
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: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -84.898411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.898411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.898411 (E_RNA)
where:
Base-Base interactions energy: -25.070
where: short stacking energy: -23.238
Base-Backbone interact. energy: -0.115
local terms energy: -59.713815
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -3.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -77.425744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.425744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.425744 (E_RNA)
where:
Base-Base interactions energy: -33.656
where: short stacking energy: -26.870
Base-Backbone interact. energy: -0.731
local terms energy: -43.038572
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -74.244059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.244059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.244059 (E_RNA)
where:
Base-Base interactions energy: -28.341
where: short stacking energy: -23.749
Base-Backbone interact. energy: 0.639
local terms energy: -46.542127
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -3.158
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -224.722147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.722147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.722147 (E_RNA)
where:
Base-Base interactions energy: -157.051
where: short stacking energy: -48.446
Base-Backbone interact. energy: -0.097
local terms energy: -67.574719
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -7.419
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -225.999478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.999478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.999478 (E_RNA)
where:
Base-Base interactions energy: -149.268
where: short stacking energy: -63.017
Base-Backbone interact. energy: -0.035
local terms energy: -76.696803
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -17.748
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: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -216.647293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.647293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.647293 (E_RNA)
where:
Base-Base interactions energy: -148.092
where: short stacking energy: -58.269
Base-Backbone interact. energy: -0.005
local terms energy: -68.550400
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -16.364
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: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -193.614244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.614244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.614244 (E_RNA)
where:
Base-Base interactions energy: -128.924
where: short stacking energy: -56.538
Base-Backbone interact. energy: -0.041
local terms energy: -64.649342
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -8.682
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -188.169151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.169151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.169151 (E_RNA)
where:
Base-Base interactions energy: -132.792
where: short stacking energy: -46.647
Base-Backbone interact. energy: 1.190
local terms energy: -56.567223
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -8.862
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -12.822
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: 139
Temperature: 1.150000
Total energy: -201.042175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.042175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.042175 (E_RNA)
where:
Base-Base interactions energy: -133.736
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.170
local terms energy: -67.136696
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -15.983
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: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -97.265576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.265576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.265576 (E_RNA)
where:
Base-Base interactions energy: -38.307
where: short stacking energy: -29.452
Base-Backbone interact. energy: -0.088
local terms energy: -58.869936
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -6.288
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: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -74.415241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.415241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.415241 (E_RNA)
where:
Base-Base interactions energy: -23.836
where: short stacking energy: -17.001
Base-Backbone interact. energy: -0.047
local terms energy: -50.531834
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: 1.385
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: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -89.514825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.514825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.514825 (E_RNA)
where:
Base-Base interactions energy: -30.862
where: short stacking energy: -30.862
Base-Backbone interact. energy: 0.815
local terms energy: -59.468484
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -78.168190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.168190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.168190 (E_RNA)
where:
Base-Base interactions energy: -27.883
where: short stacking energy: -25.228
Base-Backbone interact. energy: -0.134
local terms energy: -50.151693
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -229.026056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.026056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.026056 (E_RNA)
where:
Base-Base interactions energy: -146.306
where: short stacking energy: -62.394
Base-Backbone interact. energy: -0.076
local terms energy: -82.644151
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -20.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -220.385919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.385919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.385919 (E_RNA)
where:
Base-Base interactions energy: -147.484
where: short stacking energy: -59.156
Base-Backbone interact. energy: 0.337
local terms energy: -73.239116
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -217.880127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.880127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.880127 (E_RNA)
where:
Base-Base interactions energy: -141.798
where: short stacking energy: -54.726
Base-Backbone interact. energy: -0.620
local terms energy: -75.462307
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -16.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -177.203640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.203640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.203640 (E_RNA)
where:
Base-Base interactions energy: -111.468
where: short stacking energy: -48.385
Base-Backbone interact. energy: -0.101
local terms energy: -65.634618
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -201.864939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.864939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.864939 (E_RNA)
where:
Base-Base interactions energy: -133.085
where: short stacking energy: -61.055
Base-Backbone interact. energy: -0.017
local terms energy: -68.763580
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -16.409
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: 140
Temperature: 1.150000
Total energy: -154.846621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.846621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.846621 (E_RNA)
where:
Base-Base interactions energy: -101.248
where: short stacking energy: -55.472
Base-Backbone interact. energy: -0.317
local terms energy: -53.281935
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -2.963
tors. eta vs tors. theta energy: -11.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -89.706351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.706351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.706351 (E_RNA)
where:
Base-Base interactions energy: -42.834
where: short stacking energy: -36.822
Base-Backbone interact. energy: -0.129
local terms energy: -46.743153
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -7.085
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: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -94.029772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.029772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.029772 (E_RNA)
where:
Base-Base interactions energy: -38.862
where: short stacking energy: -38.862
Base-Backbone interact. energy: -0.099
local terms energy: -55.068399
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -3.391
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: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -74.392115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.392115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.392115 (E_RNA)
where:
Base-Base interactions energy: -30.974
where: short stacking energy: -29.959
Base-Backbone interact. energy: -0.218
local terms energy: -43.200941
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -88.692777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.692777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.692777 (E_RNA)
where:
Base-Base interactions energy: -37.359
where: short stacking energy: -28.429
Base-Backbone interact. energy: -0.149
local terms energy: -51.185243
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -217.179250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.179250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.179250 (E_RNA)
where:
Base-Base interactions energy: -141.823
where: short stacking energy: -61.957
Base-Backbone interact. energy: -0.236
local terms energy: -75.120267
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -225.661385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.661385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.661385 (E_RNA)
where:
Base-Base interactions energy: -149.429
where: short stacking energy: -73.600
Base-Backbone interact. energy: -0.156
local terms energy: -76.076581
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -18.530
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: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -209.954333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.954333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.954333 (E_RNA)
where:
Base-Base interactions energy: -141.846
where: short stacking energy: -53.619
Base-Backbone interact. energy: -0.043
local terms energy: -68.065837
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -14.985
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: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -206.953294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.953294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.953294 (E_RNA)
where:
Base-Base interactions energy: -135.706
where: short stacking energy: -52.345
Base-Backbone interact. energy: -0.466
local terms energy: -70.780803
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -17.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -186.147412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.147412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.147412 (E_RNA)
where:
Base-Base interactions energy: -120.993
where: short stacking energy: -58.411
Base-Backbone interact. energy: -0.269
local terms energy: -64.884775
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -9.375
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -20.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -135.601018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.601018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.601018 (E_RNA)
where:
Base-Base interactions energy: -78.944
where: short stacking energy: -38.582
Base-Backbone interact. energy: 0.673
local terms energy: -57.330095
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -93.880157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.880157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.880157 (E_RNA)
where:
Base-Base interactions energy: -34.048
where: short stacking energy: -32.334
Base-Backbone interact. energy: -0.019
local terms energy: -59.812868
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -7.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -87.252838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.252838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.252838 (E_RNA)
where:
Base-Base interactions energy: -35.190
where: short stacking energy: -27.016
Base-Backbone interact. energy: -0.203
local terms energy: -51.860004
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -80.039556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.039556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.039556 (E_RNA)
where:
Base-Base interactions energy: -36.284
where: short stacking energy: -18.672
Base-Backbone interact. energy: -0.225
local terms energy: -43.530891
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: 1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -76.768686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.768686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.768686 (E_RNA)
where:
Base-Base interactions energy: -32.527
where: short stacking energy: -30.577
Base-Backbone interact. energy: 0.338
local terms energy: -44.579741
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -1.319
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: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -228.455159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.455159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.455159 (E_RNA)
where:
Base-Base interactions energy: -153.172
where: short stacking energy: -67.819
Base-Backbone interact. energy: -0.082
local terms energy: -75.201132
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -216.543985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.543985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.543985 (E_RNA)
where:
Base-Base interactions energy: -143.994
where: short stacking energy: -61.387
Base-Backbone interact. energy: 0.273
local terms energy: -72.823176
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -204.263676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.263676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.263676 (E_RNA)
where:
Base-Base interactions energy: -136.664
where: short stacking energy: -52.304
Base-Backbone interact. energy: -0.015
local terms energy: -67.584573
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -213.910248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.910248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.910248 (E_RNA)
where:
Base-Base interactions energy: -142.010
where: short stacking energy: -53.886
Base-Backbone interact. energy: -0.077
local terms energy: -71.823496
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -15.416
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: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -209.443141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.443141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.443141 (E_RNA)
where:
Base-Base interactions energy: -144.219
where: short stacking energy: -56.982
Base-Backbone interact. energy: -0.951
local terms energy: -64.273266
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -123.959249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.959249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.959249 (E_RNA)
where:
Base-Base interactions energy: -65.958
where: short stacking energy: -28.832
Base-Backbone interact. energy: -1.140
local terms energy: -56.861639
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -87.066954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.066954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.066954 (E_RNA)
where:
Base-Base interactions energy: -36.315
where: short stacking energy: -26.601
Base-Backbone interact. energy: -0.088
local terms energy: -50.663696
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -8.270
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: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -82.461599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.461599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.461599 (E_RNA)
where:
Base-Base interactions energy: -37.012
where: short stacking energy: -18.221
Base-Backbone interact. energy: -0.236
local terms energy: -45.213011
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -9.190
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: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -120.878001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.878001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.878001 (E_RNA)
where:
Base-Base interactions energy: -71.550
where: short stacking energy: -31.786
Base-Backbone interact. energy: -0.200
local terms energy: -49.128765
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -79.933533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.933533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.933533 (E_RNA)
where:
Base-Base interactions energy: -29.384
where: short stacking energy: -29.384
Base-Backbone interact. energy: -0.039
local terms energy: -50.511208
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -7.162
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: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -226.645284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.645284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.645284 (E_RNA)
where:
Base-Base interactions energy: -146.032
where: short stacking energy: -70.963
Base-Backbone interact. energy: -0.124
local terms energy: -80.489133
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -218.244340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.244340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.244340 (E_RNA)
where:
Base-Base interactions energy: -150.596
where: short stacking energy: -54.263
Base-Backbone interact. energy: -0.106
local terms energy: -67.542108
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -13.037
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: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -218.096937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.096937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.096937 (E_RNA)
where:
Base-Base interactions energy: -145.507
where: short stacking energy: -60.312
Base-Backbone interact. energy: -0.547
local terms energy: -72.043114
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -217.433035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.433035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.433035 (E_RNA)
where:
Base-Base interactions energy: -139.640
where: short stacking energy: -53.732
Base-Backbone interact. energy: -0.017
local terms energy: -77.776665
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -21.214
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: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -209.642284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.642284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.642284 (E_RNA)
where:
Base-Base interactions energy: -154.479
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.036
local terms energy: -55.127436
where:
bonds (distance) C4'-P energy: -8.032
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -154.980915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.980915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.980915 (E_RNA)
where:
Base-Base interactions energy: -97.149
where: short stacking energy: -47.048
Base-Backbone interact. energy: -0.040
local terms energy: -57.791393
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -9.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -105.200460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.200460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.200460 (E_RNA)
where:
Base-Base interactions energy: -47.131
where: short stacking energy: -33.835
Base-Backbone interact. energy: -0.003
local terms energy: -58.065622
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -8.510
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: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -78.315925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.315925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.315925 (E_RNA)
where:
Base-Base interactions energy: -27.689
where: short stacking energy: -28.689
Base-Backbone interact. energy: -1.134
local terms energy: -49.492986
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -9.419
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: 0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -91.880956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.880956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.880956 (E_RNA)
where:
Base-Base interactions energy: -40.287
where: short stacking energy: -36.429
Base-Backbone interact. energy: -0.018
local terms energy: -51.576095
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -7.383
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -91.120656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.120656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.120656 (E_RNA)
where:
Base-Base interactions energy: -43.539
where: short stacking energy: -28.249
Base-Backbone interact. energy: -0.201
local terms energy: -47.380854
where:
bonds (distance) C4'-P energy: -6.161
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -5.621
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: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -232.339400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.339400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.339400 (E_RNA)
where:
Base-Base interactions energy: -154.955
where: short stacking energy: -63.024
Base-Backbone interact. energy: 0.413
local terms energy: -77.797102
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -222.397359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.397359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.397359 (E_RNA)
where:
Base-Base interactions energy: -151.380
where: short stacking energy: -61.323
Base-Backbone interact. energy: -0.044
local terms energy: -70.973539
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -227.877389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.877389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.877389 (E_RNA)
where:
Base-Base interactions energy: -145.276
where: short stacking energy: -69.784
Base-Backbone interact. energy: -0.023
local terms energy: -82.578889
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -22.548
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: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -205.165796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.165796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.165796 (E_RNA)
where:
Base-Base interactions energy: -129.371
where: short stacking energy: -67.022
Base-Backbone interact. energy: -1.356
local terms energy: -74.438668
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -16.664
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: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -206.801422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.801422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.801422 (E_RNA)
where:
Base-Base interactions energy: -136.581
where: short stacking energy: -55.067
Base-Backbone interact. energy: -0.066
local terms energy: -70.154743
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -15.912
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: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -128.826073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.826073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.826073 (E_RNA)
where:
Base-Base interactions energy: -72.666
where: short stacking energy: -43.410
Base-Backbone interact. energy: 0.284
local terms energy: -56.444622
where:
bonds (distance) C4'-P energy: -8.041
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -9.776
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: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -90.027680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.027680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.027680 (E_RNA)
where:
Base-Base interactions energy: -35.914
where: short stacking energy: -31.800
Base-Backbone interact. energy: -0.002
local terms energy: -54.111850
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -10.471
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: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -92.551184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.551184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.551184 (E_RNA)
where:
Base-Base interactions energy: -47.319
where: short stacking energy: -31.447
Base-Backbone interact. energy: -0.113
local terms energy: -45.118778
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -6.977
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -82.204632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.204632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.204632 (E_RNA)
where:
Base-Base interactions energy: -25.763
where: short stacking energy: -24.845
Base-Backbone interact. energy: -0.286
local terms energy: -56.155590
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: 0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -71.987527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.987527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.987527 (E_RNA)
where:
Base-Base interactions energy: -30.191
where: short stacking energy: -26.517
Base-Backbone interact. energy: 0.073
local terms energy: -41.870121
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -3.454
tors. eta vs tors. theta energy: -0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -229.478777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.478777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.478777 (E_RNA)
where:
Base-Base interactions energy: -159.103
where: short stacking energy: -58.517
Base-Backbone interact. energy: -0.011
local terms energy: -70.364804
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -226.145691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.145691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.145691 (E_RNA)
where:
Base-Base interactions energy: -152.826
where: short stacking energy: -62.066
Base-Backbone interact. energy: 0.286
local terms energy: -73.605722
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -217.335638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.335638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.335638 (E_RNA)
where:
Base-Base interactions energy: -144.756
where: short stacking energy: -58.143
Base-Backbone interact. energy: -0.194
local terms energy: -72.385471
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -17.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -201.215282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.215282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.215282 (E_RNA)
where:
Base-Base interactions energy: -127.865
where: short stacking energy: -54.427
Base-Backbone interact. energy: -0.104
local terms energy: -73.246503
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -206.271206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.271206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.271206 (E_RNA)
where:
Base-Base interactions energy: -133.504
where: short stacking energy: -63.239
Base-Backbone interact. energy: -0.019
local terms energy: -72.748404
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -103.932201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.932201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.932201 (E_RNA)
where:
Base-Base interactions energy: -54.528
where: short stacking energy: -34.395
Base-Backbone interact. energy: 0.169
local terms energy: -49.574045
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -8.535
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: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -107.773575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.773575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.773575 (E_RNA)
where:
Base-Base interactions energy: -38.195
where: short stacking energy: -30.860
Base-Backbone interact. energy: -0.043
local terms energy: -69.534663
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -9.407
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: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -91.571152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.571152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.571152 (E_RNA)
where:
Base-Base interactions energy: -37.411
where: short stacking energy: -24.839
Base-Backbone interact. energy: -0.100
local terms energy: -54.059969
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -10.367
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: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -69.111508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.111508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.111508 (E_RNA)
where:
Base-Base interactions energy: -23.469
where: short stacking energy: -21.928
Base-Backbone interact. energy: -0.203
local terms energy: -45.440132
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -10.734
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -78.078632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.078632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.078632 (E_RNA)
where:
Base-Base interactions energy: -25.570
where: short stacking energy: -25.116
Base-Backbone interact. energy: 0.154
local terms energy: -52.662301
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -11.559
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: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -226.798230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.798230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.798230 (E_RNA)
where:
Base-Base interactions energy: -152.571
where: short stacking energy: -69.485
Base-Backbone interact. energy: -0.098
local terms energy: -74.129496
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -222.650658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.650658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.650658 (E_RNA)
where:
Base-Base interactions energy: -150.445
where: short stacking energy: -63.047
Base-Backbone interact. energy: -0.086
local terms energy: -72.119948
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -17.989
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: 3, replica: 4
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -217.978716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.978716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.978716 (E_RNA)
where:
Base-Base interactions energy: -143.794
where: short stacking energy: -65.695
Base-Backbone interact. energy: -0.030
local terms energy: -74.155469
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -19.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -205.564836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.564836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.564836 (E_RNA)
where:
Base-Base interactions energy: -142.363
where: short stacking energy: -49.312
Base-Backbone interact. energy: -0.105
local terms energy: -63.096816
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -11.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -209.296749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.296749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.296749 (E_RNA)
where:
Base-Base interactions energy: -134.448
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.644
local terms energy: -74.203985
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -105.924004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.924004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.924004 (E_RNA)
where:
Base-Base interactions energy: -61.553
where: short stacking energy: -33.362
Base-Backbone interact. energy: -1.053
local terms energy: -43.318034
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -6.516
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: 1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -86.018036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.018036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.018036 (E_RNA)
where:
Base-Base interactions energy: -35.767
where: short stacking energy: -26.547
Base-Backbone interact. energy: -0.163
local terms energy: -50.088191
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: 0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -92.196446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.196446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.196446 (E_RNA)
where:
Base-Base interactions energy: -44.167
where: short stacking energy: -24.720
Base-Backbone interact. energy: -0.168
local terms energy: -47.860641
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -110.277486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.277486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.277486 (E_RNA)
where:
Base-Base interactions energy: -50.205
where: short stacking energy: -37.970
Base-Backbone interact. energy: 0.101
local terms energy: -60.173701
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -8.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -72.970332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.970332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.970332 (E_RNA)
where:
Base-Base interactions energy: -28.036
where: short stacking energy: -19.851
Base-Backbone interact. energy: -0.701
local terms energy: -44.233395
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -1.961
tors. eta vs tors. theta energy: 2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -229.376188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.376188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.376188 (E_RNA)
where:
Base-Base interactions energy: -166.399
where: short stacking energy: -64.493
Base-Backbone interact. energy: -1.789
local terms energy: -61.188679
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -221.937150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.937150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.937150 (E_RNA)
where:
Base-Base interactions energy: -146.823
where: short stacking energy: -68.054
Base-Backbone interact. energy: -0.608
local terms energy: -74.505922
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -217.294688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.294688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.294688 (E_RNA)
where:
Base-Base interactions energy: -143.047
where: short stacking energy: -61.137
Base-Backbone interact. energy: -0.003
local terms energy: -74.245242
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -212.071913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.071913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.071913 (E_RNA)
where:
Base-Base interactions energy: -131.617
where: short stacking energy: -63.375
Base-Backbone interact. energy: -0.622
local terms energy: -79.833163
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -211.047395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.047395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.047395 (E_RNA)
where:
Base-Base interactions energy: -144.185
where: short stacking energy: -48.447
Base-Backbone interact. energy: -1.131
local terms energy: -65.731282
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -109.757137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.757137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.757137 (E_RNA)
where:
Base-Base interactions energy: -63.672
where: short stacking energy: -41.876
Base-Backbone interact. energy: -0.105
local terms energy: -45.980272
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -84.690102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.690102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.690102 (E_RNA)
where:
Base-Base interactions energy: -32.197
where: short stacking energy: -26.265
Base-Backbone interact. energy: -0.002
local terms energy: -52.490457
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -131.728422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.728422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.728422 (E_RNA)
where:
Base-Base interactions energy: -79.770
where: short stacking energy: -34.875
Base-Backbone interact. energy: -0.066
local terms energy: -51.892909
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: 0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -79.390385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.390385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.390385 (E_RNA)
where:
Base-Base interactions energy: -34.354
where: short stacking energy: -34.354
Base-Backbone interact. energy: 1.285
local terms energy: -46.321481
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -81.096456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.096456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.096456 (E_RNA)
where:
Base-Base interactions energy: -36.228
where: short stacking energy: -27.369
Base-Backbone interact. energy: -0.548
local terms energy: -44.320330
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -224.720346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.720346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.720346 (E_RNA)
where:
Base-Base interactions energy: -143.880
where: short stacking energy: -69.116
Base-Backbone interact. energy: -0.046
local terms energy: -80.795202
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -23.657
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: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -226.629976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.629976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.629976 (E_RNA)
where:
Base-Base interactions energy: -152.553
where: short stacking energy: -59.408
Base-Backbone interact. energy: -0.094
local terms energy: -73.983351
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -10.625
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: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -217.067344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.067344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.067344 (E_RNA)
where:
Base-Base interactions energy: -136.138
where: short stacking energy: -65.294
Base-Backbone interact. energy: -0.486
local terms energy: -80.443930
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -207.478322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.478322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.478322 (E_RNA)
where:
Base-Base interactions energy: -135.696
where: short stacking energy: -62.730
Base-Backbone interact. energy: -0.004
local terms energy: -71.778372
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -194.541387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.541387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.541387 (E_RNA)
where:
Base-Base interactions energy: -123.709
where: short stacking energy: -52.821
Base-Backbone interact. energy: -0.007
local terms energy: -70.824767
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -87.076914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.076914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.076914 (E_RNA)
where:
Base-Base interactions energy: -36.250
where: short stacking energy: -31.966
Base-Backbone interact. energy: -0.106
local terms energy: -50.720112
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -134.668232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.668232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.668232 (E_RNA)
where:
Base-Base interactions energy: -74.062
where: short stacking energy: -42.072
Base-Backbone interact. energy: -0.102
local terms energy: -60.504871
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -5.832
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: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -72.103692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.103692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.103692 (E_RNA)
where:
Base-Base interactions energy: -25.441
where: short stacking energy: -20.915
Base-Backbone interact. energy: -0.274
local terms energy: -46.388990
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -6.292
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -78.645232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.645232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.645232 (E_RNA)
where:
Base-Base interactions energy: -31.217
where: short stacking energy: -27.252
Base-Backbone interact. energy: -0.634
local terms energy: -46.795074
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -9.656
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: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -82.538601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.538601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.538601 (E_RNA)
where:
Base-Base interactions energy: -26.333
where: short stacking energy: -23.340
Base-Backbone interact. energy: -0.441
local terms energy: -55.764805
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -228.821014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.821014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.821014 (E_RNA)
where:
Base-Base interactions energy: -148.143
where: short stacking energy: -61.272
Base-Backbone interact. energy: -0.323
local terms energy: -80.355534
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -19.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -209.395938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.395938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.395938 (E_RNA)
where:
Base-Base interactions energy: -131.621
where: short stacking energy: -64.289
Base-Backbone interact. energy: -0.002
local terms energy: -77.772575
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -211.286901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.286901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.286901 (E_RNA)
where:
Base-Base interactions energy: -139.632
where: short stacking energy: -58.660
Base-Backbone interact. energy: 0.937
local terms energy: -72.591386
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -195.387399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.387399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.387399 (E_RNA)
where:
Base-Base interactions energy: -124.432
where: short stacking energy: -57.871
Base-Backbone interact. energy: -1.344
local terms energy: -69.611018
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -15.160
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: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -201.705038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.705038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.705038 (E_RNA)
where:
Base-Base interactions energy: -135.807
where: short stacking energy: -54.276
Base-Backbone interact. energy: 0.245
local terms energy: -66.142397
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -162.440367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.440367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.440367 (E_RNA)
where:
Base-Base interactions energy: -102.049
where: short stacking energy: -51.384
Base-Backbone interact. energy: -0.013
local terms energy: -60.378534
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -89.264159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.264159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.264159 (E_RNA)
where:
Base-Base interactions energy: -33.647
where: short stacking energy: -30.787
Base-Backbone interact. energy: -0.308
local terms energy: -55.308920
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -116.972195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.972195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.972195 (E_RNA)
where:
Base-Base interactions energy: -71.332
where: short stacking energy: -27.055
Base-Backbone interact. energy: -0.464
local terms energy: -45.176456
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -7.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -77.656356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.656356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.656356 (E_RNA)
where:
Base-Base interactions energy: -33.464
where: short stacking energy: -22.508
Base-Backbone interact. energy: 2.897
local terms energy: -47.089904
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -70.607590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.607590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.607590 (E_RNA)
where:
Base-Base interactions energy: -28.555
where: short stacking energy: -18.682
Base-Backbone interact. energy: -0.517
local terms energy: -41.535750
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -8.215
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: 1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -227.176555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.176555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.176555 (E_RNA)
where:
Base-Base interactions energy: -149.466
where: short stacking energy: -69.317
Base-Backbone interact. energy: -0.221
local terms energy: -77.490153
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -216.328686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.328686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.328686 (E_RNA)
where:
Base-Base interactions energy: -136.910
where: short stacking energy: -59.075
Base-Backbone interact. energy: -0.056
local terms energy: -79.362026
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -215.320650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.320650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.320650 (E_RNA)
where:
Base-Base interactions energy: -140.593
where: short stacking energy: -49.109
Base-Backbone interact. energy: -0.077
local terms energy: -74.650315
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -198.127726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.127726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.127726 (E_RNA)
where:
Base-Base interactions energy: -132.926
where: short stacking energy: -52.699
Base-Backbone interact. energy: 3.437
local terms energy: -68.638642
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -195.526486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.526486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.526486 (E_RNA)
where:
Base-Base interactions energy: -133.768
where: short stacking energy: -66.341
Base-Backbone interact. energy: -0.001
local terms energy: -61.757453
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -183.061313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.061313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.061313 (E_RNA)
where:
Base-Base interactions energy: -118.247
where: short stacking energy: -49.581
Base-Backbone interact. energy: -0.266
local terms energy: -64.548459
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -9.412
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: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -89.441959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.441959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.441959 (E_RNA)
where:
Base-Base interactions energy: -42.101
where: short stacking energy: -38.022
Base-Backbone interact. energy: -0.025
local terms energy: -47.315947
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -4.841
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -81.103017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.103017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.103017 (E_RNA)
where:
Base-Base interactions energy: -32.622
where: short stacking energy: -21.766
Base-Backbone interact. energy: -0.203
local terms energy: -48.278179
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: 1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -79.333977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.333977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.333977 (E_RNA)
where:
Base-Base interactions energy: -29.721
where: short stacking energy: -23.774
Base-Backbone interact. energy: -0.232
local terms energy: -49.381348
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -8.808
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: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -84.961691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.961691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.961691 (E_RNA)
where:
Base-Base interactions energy: -37.680
where: short stacking energy: -25.936
Base-Backbone interact. energy: -0.063
local terms energy: -47.218776
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -7.841
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: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -230.321953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.321953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.321953 (E_RNA)
where:
Base-Base interactions energy: -152.287
where: short stacking energy: -68.051
Base-Backbone interact. energy: 0.979
local terms energy: -79.014038
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -214.751435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.751435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.751435 (E_RNA)
where:
Base-Base interactions energy: -139.062
where: short stacking energy: -61.239
Base-Backbone interact. energy: -2.472
local terms energy: -73.217506
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -207.676745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.676745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.676745 (E_RNA)
where:
Base-Base interactions energy: -148.184
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.326
local terms energy: -59.166941
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -220.513649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.513649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.513649 (E_RNA)
where:
Base-Base interactions energy: -138.947
where: short stacking energy: -66.051
Base-Backbone interact. energy: -0.011
local terms energy: -81.555579
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -20.218
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: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -182.079829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.079829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.079829 (E_RNA)
where:
Base-Base interactions energy: -131.767
where: short stacking energy: -51.953
Base-Backbone interact. energy: -0.835
local terms energy: -49.478557
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -7.858
flat angles C4'-P-C4' energy: -9.083
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -191.470683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.470683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.470683 (E_RNA)
where:
Base-Base interactions energy: -124.579
where: short stacking energy: -53.293
Base-Backbone interact. energy: -0.074
local terms energy: -66.817609
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -18.850
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: 151
Temperature: 1.200000
Total energy: -97.020241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.020241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.020241 (E_RNA)
where:
Base-Base interactions energy: -49.200
where: short stacking energy: -27.186
Base-Backbone interact. energy: -0.379
local terms energy: -47.441106
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -82.236802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.236802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.236802 (E_RNA)
where:
Base-Base interactions energy: -37.247
where: short stacking energy: -22.649
Base-Backbone interact. energy: -0.333
local terms energy: -44.656740
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -88.188434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.188434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.188434 (E_RNA)
where:
Base-Base interactions energy: -43.442
where: short stacking energy: -43.442
Base-Backbone interact. energy: -0.025
local terms energy: -44.721453
where:
bonds (distance) C4'-P energy: -8.324
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -5.989
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -12.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -79.181915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.181915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.181915 (E_RNA)
where:
Base-Base interactions energy: -29.796
where: short stacking energy: -29.106
Base-Backbone interact. energy: -0.280
local terms energy: -49.106532
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: 1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -226.964781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.964781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.964781 (E_RNA)
where:
Base-Base interactions energy: -160.987
where: short stacking energy: -64.557
Base-Backbone interact. energy: -0.551
local terms energy: -65.426936
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -10.171
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -225.923155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.923155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.923155 (E_RNA)
where:
Base-Base interactions energy: -150.036
where: short stacking energy: -68.139
Base-Backbone interact. energy: -0.491
local terms energy: -75.395462
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -219.539103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.539103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.539103 (E_RNA)
where:
Base-Base interactions energy: -147.062
where: short stacking energy: -62.499
Base-Backbone interact. energy: -0.034
local terms energy: -72.443456
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -203.444557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.444557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.444557 (E_RNA)
where:
Base-Base interactions energy: -141.846
where: short stacking energy: -58.164
Base-Backbone interact. energy: -0.088
local terms energy: -61.510947
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -195.739283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.739283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.739283 (E_RNA)
where:
Base-Base interactions energy: -136.980
where: short stacking energy: -44.543
Base-Backbone interact. energy: -0.090
local terms energy: -58.668439
where:
bonds (distance) C4'-P energy: -8.124
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -192.893684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.893684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.893684 (E_RNA)
where:
Base-Base interactions energy: -127.800
where: short stacking energy: -50.550
Base-Backbone interact. energy: -1.451
local terms energy: -63.642764
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -84.999605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.999605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.999605 (E_RNA)
where:
Base-Base interactions energy: -31.700
where: short stacking energy: -31.700
Base-Backbone interact. energy: 0.274
local terms energy: -53.573143
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -86.782464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.782464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.782464 (E_RNA)
where:
Base-Base interactions energy: -36.392
where: short stacking energy: -26.715
Base-Backbone interact. energy: -0.085
local terms energy: -50.305533
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: 0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -92.513779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.513779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.513779 (E_RNA)
where:
Base-Base interactions energy: -54.285
where: short stacking energy: -26.735
Base-Backbone interact. energy: -1.068
local terms energy: -37.160828
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -83.382215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.382215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.382215 (E_RNA)
where:
Base-Base interactions energy: -37.219
where: short stacking energy: -22.690
Base-Backbone interact. energy: -0.833
local terms energy: -45.330543
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -2.953
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -222.441107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.441107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.441107 (E_RNA)
where:
Base-Base interactions energy: -147.760
where: short stacking energy: -69.316
Base-Backbone interact. energy: -0.052
local terms energy: -74.629645
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -224.512987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.512987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.512987 (E_RNA)
where:
Base-Base interactions energy: -145.472
where: short stacking energy: -66.481
Base-Backbone interact. energy: -0.000
local terms energy: -79.040327
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -213.662673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.662673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.662673 (E_RNA)
where:
Base-Base interactions energy: -143.129
where: short stacking energy: -55.210
Base-Backbone interact. energy: -0.259
local terms energy: -70.274697
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -201.705295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.705295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.705295 (E_RNA)
where:
Base-Base interactions energy: -136.056
where: short stacking energy: -62.105
Base-Backbone interact. energy: -0.027
local terms energy: -65.621529
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -202.876893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.876893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.876893 (E_RNA)
where:
Base-Base interactions energy: -140.877
where: short stacking energy: -57.632
Base-Backbone interact. energy: 0.298
local terms energy: -62.297512
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -196.199120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.199120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.199120 (E_RNA)
where:
Base-Base interactions energy: -127.989
where: short stacking energy: -54.506
Base-Backbone interact. energy: -0.505
local terms energy: -67.705166
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -91.522869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.522869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.522869 (E_RNA)
where:
Base-Base interactions energy: -31.113
where: short stacking energy: -29.802
Base-Backbone interact. energy: -0.569
local terms energy: -59.840009
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -6.735
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: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -89.644905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.644905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.644905 (E_RNA)
where:
Base-Base interactions energy: -36.307
where: short stacking energy: -30.682
Base-Backbone interact. energy: -0.090
local terms energy: -53.248435
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: 0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -74.494315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.494315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.494315 (E_RNA)
where:
Base-Base interactions energy: -28.010
where: short stacking energy: -28.010
Base-Backbone interact. energy: -0.056
local terms energy: -46.428337
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -75.601853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.601853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.601853 (E_RNA)
where:
Base-Base interactions energy: -25.398
where: short stacking energy: -24.747
Base-Backbone interact. energy: -1.283
local terms energy: -48.920914
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -10.037
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: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -231.891282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.891282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.891282 (E_RNA)
where:
Base-Base interactions energy: -159.952
where: short stacking energy: -63.094
Base-Backbone interact. energy: -0.287
local terms energy: -71.652676
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -229.594255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.594255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.594255 (E_RNA)
where:
Base-Base interactions energy: -151.750
where: short stacking energy: -59.636
Base-Backbone interact. energy: -0.407
local terms energy: -77.437317
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -199.437739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.437739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.437739 (E_RNA)
where:
Base-Base interactions energy: -138.266
where: short stacking energy: -50.641
Base-Backbone interact. energy: -0.102
local terms energy: -61.070019
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -207.161599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.161599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.161599 (E_RNA)
where:
Base-Base interactions energy: -139.244
where: short stacking energy: -57.758
Base-Backbone interact. energy: 0.466
local terms energy: -68.384423
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -207.825579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.825579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.825579 (E_RNA)
where:
Base-Base interactions energy: -141.838
where: short stacking energy: -56.949
Base-Backbone interact. energy: -0.012
local terms energy: -65.975853
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -193.392872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.392872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.392872 (E_RNA)
where:
Base-Base interactions energy: -127.497
where: short stacking energy: -61.600
Base-Backbone interact. energy: -0.001
local terms energy: -65.895244
where:
bonds (distance) C4'-P energy: -8.833
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: -21.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -101.445759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.445759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.445759 (E_RNA)
where:
Base-Base interactions energy: -52.167
where: short stacking energy: -40.695
Base-Backbone interact. energy: 3.724
local terms energy: -53.002171
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -83.960887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.960887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.960887 (E_RNA)
where:
Base-Base interactions energy: -38.903
where: short stacking energy: -30.367
Base-Backbone interact. energy: -0.185
local terms energy: -44.872166
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -80.784248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.784248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.784248 (E_RNA)
where:
Base-Base interactions energy: -28.320
where: short stacking energy: -26.826
Base-Backbone interact. energy: -0.041
local terms energy: -52.423144
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -81.607497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.607497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.607497 (E_RNA)
where:
Base-Base interactions energy: -31.782
where: short stacking energy: -28.023
Base-Backbone interact. energy: -0.010
local terms energy: -49.815644
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -10.321
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: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -223.410197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.410197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.410197 (E_RNA)
where:
Base-Base interactions energy: -146.318
where: short stacking energy: -64.236
Base-Backbone interact. energy: -0.043
local terms energy: -77.050106
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -228.524012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.524012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.524012 (E_RNA)
where:
Base-Base interactions energy: -154.601
where: short stacking energy: -55.683
Base-Backbone interact. energy: -0.019
local terms energy: -73.903796
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -199.876136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.876136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.876136 (E_RNA)
where:
Base-Base interactions energy: -140.171
where: short stacking energy: -52.625
Base-Backbone interact. energy: -0.018
local terms energy: -59.687816
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -7.183
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -207.159796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.159796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.159796 (E_RNA)
where:
Base-Base interactions energy: -139.223
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.210
local terms energy: -67.727170
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -200.950002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.950002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.950002 (E_RNA)
where:
Base-Base interactions energy: -131.466
where: short stacking energy: -56.187
Base-Backbone interact. energy: -0.003
local terms energy: -69.480822
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -12.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -217.919969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.919969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.919969 (E_RNA)
where:
Base-Base interactions energy: -142.135
where: short stacking energy: -64.016
Base-Backbone interact. energy: -0.455
local terms energy: -75.329210
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -9.795
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -18.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -89.996757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.996757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.996757 (E_RNA)
where:
Base-Base interactions energy: -27.880
where: short stacking energy: -27.880
Base-Backbone interact. energy: -0.032
local terms energy: -62.084495
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -12.154
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: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -79.571052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.571052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.571052 (E_RNA)
where:
Base-Base interactions energy: -30.144
where: short stacking energy: -28.266
Base-Backbone interact. energy: -0.938
local terms energy: -48.489297
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -99.219447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.219447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.219447 (E_RNA)
where:
Base-Base interactions energy: -44.339
where: short stacking energy: -24.389
Base-Backbone interact. energy: -0.125
local terms energy: -54.755659
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: -6.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -77.455888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.455888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.455888 (E_RNA)
where:
Base-Base interactions energy: -25.116
where: short stacking energy: -19.059
Base-Backbone interact. energy: -0.390
local terms energy: -51.950766
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -9.757
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: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -234.903698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.903698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.903698 (E_RNA)
where:
Base-Base interactions energy: -162.047
where: short stacking energy: -59.363
Base-Backbone interact. energy: -0.029
local terms energy: -72.828048
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -212.012566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.012566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.012566 (E_RNA)
where:
Base-Base interactions energy: -140.405
where: short stacking energy: -52.711
Base-Backbone interact. energy: 0.476
local terms energy: -72.083725
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -207.164442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.164442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.164442 (E_RNA)
where:
Base-Base interactions energy: -146.637
where: short stacking energy: -53.605
Base-Backbone interact. energy: -0.327
local terms energy: -60.200568
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -9.621
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: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -213.187325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.187325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.187325 (E_RNA)
where:
Base-Base interactions energy: -144.387
where: short stacking energy: -55.288
Base-Backbone interact. energy: -0.289
local terms energy: -68.510868
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -207.693024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.693024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.693024 (E_RNA)
where:
Base-Base interactions energy: -145.816
where: short stacking energy: -58.557
Base-Backbone interact. energy: -0.087
local terms energy: -61.789663
where:
bonds (distance) C4'-P energy: -8.112
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -178.813519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.813519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.813519 (E_RNA)
where:
Base-Base interactions energy: -122.137
where: short stacking energy: -48.134
Base-Backbone interact. energy: -0.046
local terms energy: -56.630394
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -94.726925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.726925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.726925 (E_RNA)
where:
Base-Base interactions energy: -47.325
where: short stacking energy: -32.129
Base-Backbone interact. energy: -0.110
local terms energy: -47.292104
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -91.361674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.361674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.361674 (E_RNA)
where:
Base-Base interactions energy: -31.982
where: short stacking energy: -23.669
Base-Backbone interact. energy: -1.067
local terms energy: -58.312165
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -9.254
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: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -79.766524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.766524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.766524 (E_RNA)
where:
Base-Base interactions energy: -27.475
where: short stacking energy: -27.475
Base-Backbone interact. energy: -0.168
local terms energy: -52.122759
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -4.992
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: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -76.526129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.526129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.526129 (E_RNA)
where:
Base-Base interactions energy: -38.662
where: short stacking energy: -20.128
Base-Backbone interact. energy: 1.174
local terms energy: -39.037403
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -8.961
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -220.667170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.667170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.667170 (E_RNA)
where:
Base-Base interactions energy: -142.689
where: short stacking energy: -62.806
Base-Backbone interact. energy: -0.015
local terms energy: -77.963139
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -213.112937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.112937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.112937 (E_RNA)
where:
Base-Base interactions energy: -142.030
where: short stacking energy: -57.575
Base-Backbone interact. energy: 1.218
local terms energy: -72.300841
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -209.169936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.169936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.169936 (E_RNA)
where:
Base-Base interactions energy: -136.936
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.842
local terms energy: -71.392642
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -20.492
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: 157
Temperature: 1.050000
Total energy: -204.411416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.411416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.411416 (E_RNA)
where:
Base-Base interactions energy: -127.626
where: short stacking energy: -50.400
Base-Backbone interact. energy: -0.247
local terms energy: -76.538315
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -205.758772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.758772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.758772 (E_RNA)
where:
Base-Base interactions energy: -134.814
where: short stacking energy: -46.405
Base-Backbone interact. energy: -1.014
local terms energy: -69.930971
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -183.337645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.337645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.337645 (E_RNA)
where:
Base-Base interactions energy: -116.076
where: short stacking energy: -46.852
Base-Backbone interact. energy: -0.021
local terms energy: -67.241559
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -89.472267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.472267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.472267 (E_RNA)
where:
Base-Base interactions energy: -36.300
where: short stacking energy: -29.081
Base-Backbone interact. energy: -0.251
local terms energy: -52.921695
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -93.958614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.958614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.958614 (E_RNA)
where:
Base-Base interactions energy: -39.757
where: short stacking energy: -36.493
Base-Backbone interact. energy: -0.169
local terms energy: -54.032609
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -6.456
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: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -80.672881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.672881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.672881 (E_RNA)
where:
Base-Base interactions energy: -36.307
where: short stacking energy: -24.601
Base-Backbone interact. energy: -0.112
local terms energy: -44.253825
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -7.293
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -83.292368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.292368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.292368 (E_RNA)
where:
Base-Base interactions energy: -37.778
where: short stacking energy: -29.978
Base-Backbone interact. energy: -0.024
local terms energy: -45.490692
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -4.844
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: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -233.877649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.877649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.877649 (E_RNA)
where:
Base-Base interactions energy: -158.720
where: short stacking energy: -73.603
Base-Backbone interact. energy: -1.901
local terms energy: -73.256703
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -192.364422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.364422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.364422 (E_RNA)
where:
Base-Base interactions energy: -136.465
where: short stacking energy: -52.024
Base-Backbone interact. energy: -0.109
local terms energy: -55.790344
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -11.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -214.410983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.410983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.410983 (E_RNA)
where:
Base-Base interactions energy: -144.767
where: short stacking energy: -57.544
Base-Backbone interact. energy: -0.005
local terms energy: -69.639403
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -213.775895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.775895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.775895 (E_RNA)
where:
Base-Base interactions energy: -142.293
where: short stacking energy: -66.564
Base-Backbone interact. energy: -0.025
local terms energy: -71.458539
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -212.011444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.011444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.011444 (E_RNA)
where:
Base-Base interactions energy: -140.993
where: short stacking energy: -55.075
Base-Backbone interact. energy: -1.238
local terms energy: -69.780778
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -206.582515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.582515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.582515 (E_RNA)
where:
Base-Base interactions energy: -142.184
where: short stacking energy: -62.991
Base-Backbone interact. energy: -0.122
local terms energy: -64.277012
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -18.785
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: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -77.078619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.078619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.078619 (E_RNA)
where:
Base-Base interactions energy: -21.554
where: short stacking energy: -15.445
Base-Backbone interact. energy: -0.092
local terms energy: -55.432527
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: 5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -79.969437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.969437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.969437 (E_RNA)
where:
Base-Base interactions energy: -34.365
where: short stacking energy: -25.602
Base-Backbone interact. energy: -0.152
local terms energy: -45.452693
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -77.853102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.853102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.853102 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -33.791
Base-Backbone interact. energy: 1.143
local terms energy: -45.205747
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -2.881
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -75.032205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.032205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.032205 (E_RNA)
where:
Base-Base interactions energy: -27.140
where: short stacking energy: -23.169
Base-Backbone interact. energy: -0.091
local terms energy: -47.801365
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -227.171800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.171800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.171800 (E_RNA)
where:
Base-Base interactions energy: -147.297
where: short stacking energy: -65.643
Base-Backbone interact. energy: -0.002
local terms energy: -79.873006
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -205.385143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.385143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.385143 (E_RNA)
where:
Base-Base interactions energy: -133.228
where: short stacking energy: -48.497
Base-Backbone interact. energy: -0.208
local terms energy: -71.948909
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -15.043
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: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -203.238713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.238713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.238713 (E_RNA)
where:
Base-Base interactions energy: -136.766
where: short stacking energy: -55.604
Base-Backbone interact. energy: -0.019
local terms energy: -66.453946
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -12.184
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: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -206.032684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.032684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.032684 (E_RNA)
where:
Base-Base interactions energy: -136.075
where: short stacking energy: -55.959
Base-Backbone interact. energy: -0.296
local terms energy: -69.661371
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -205.055724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.055724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.055724 (E_RNA)
where:
Base-Base interactions energy: -139.110
where: short stacking energy: -53.438
Base-Backbone interact. energy: -0.866
local terms energy: -65.079759
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -15.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -184.724498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.724498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.724498 (E_RNA)
where:
Base-Base interactions energy: -119.222
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.068
local terms energy: -65.434394
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -13.863
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: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -88.507485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.507485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.507485 (E_RNA)
where:
Base-Base interactions energy: -39.570
where: short stacking energy: -32.706
Base-Backbone interact. energy: -0.130
local terms energy: -48.807895
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -93.451765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.451765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.451765 (E_RNA)
where:
Base-Base interactions energy: -39.922
where: short stacking energy: -23.256
Base-Backbone interact. energy: -0.724
local terms energy: -52.805210
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -0.371
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: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -79.265996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.265996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.265996 (E_RNA)
where:
Base-Base interactions energy: -36.156
where: short stacking energy: -34.939
Base-Backbone interact. energy: -0.097
local terms energy: -43.012864
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -2.302
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -80.894557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.894557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.894557 (E_RNA)
where:
Base-Base interactions energy: -36.931
where: short stacking energy: -26.781
Base-Backbone interact. energy: -0.448
local terms energy: -43.515484
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -5.634
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -225.528042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.528042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.528042 (E_RNA)
where:
Base-Base interactions energy: -145.850
where: short stacking energy: -72.463
Base-Backbone interact. energy: -0.835
local terms energy: -78.842807
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -23.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -220.674939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.674939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.674939 (E_RNA)
where:
Base-Base interactions energy: -144.090
where: short stacking energy: -54.223
Base-Backbone interact. energy: -0.207
local terms energy: -76.377858
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -18.782
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: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -197.280414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.280414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.280414 (E_RNA)
where:
Base-Base interactions energy: -139.556
where: short stacking energy: -53.256
Base-Backbone interact. energy: -0.618
local terms energy: -57.106388
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -201.466108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.466108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.466108 (E_RNA)
where:
Base-Base interactions energy: -142.298
where: short stacking energy: -62.483
Base-Backbone interact. energy: -0.411
local terms energy: -58.757576
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -194.200839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.200839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.200839 (E_RNA)
where:
Base-Base interactions energy: -122.958
where: short stacking energy: -53.960
Base-Backbone interact. energy: -0.004
local terms energy: -71.239684
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -8.731
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -183.653804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.653804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.653804 (E_RNA)
where:
Base-Base interactions energy: -116.664
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.028
local terms energy: -66.961905
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -3.783
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -99.351329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.351329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.351329 (E_RNA)
where:
Base-Base interactions energy: -35.787
where: short stacking energy: -35.787
Base-Backbone interact. energy: -0.310
local terms energy: -63.254408
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -83.026839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.026839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.026839 (E_RNA)
where:
Base-Base interactions energy: -46.819
where: short stacking energy: -20.877
Base-Backbone interact. energy: 1.491
local terms energy: -37.699651
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: 0.594
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: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -83.506022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.506022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.506022 (E_RNA)
where:
Base-Base interactions energy: -33.770
where: short stacking energy: -29.059
Base-Backbone interact. energy: 0.209
local terms energy: -49.945717
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -6.192
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -7.829
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: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -79.200562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.200562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.200562 (E_RNA)
where:
Base-Base interactions energy: -31.137
where: short stacking energy: -27.316
Base-Backbone interact. energy: -0.204
local terms energy: -47.859287
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -225.369796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.369796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.369796 (E_RNA)
where:
Base-Base interactions energy: -142.274
where: short stacking energy: -66.956
Base-Backbone interact. energy: -0.522
local terms energy: -82.573653
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -195.487431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.487431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.487431 (E_RNA)
where:
Base-Base interactions energy: -137.223
where: short stacking energy: -49.000
Base-Backbone interact. energy: -0.707
local terms energy: -57.557490
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -10.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -219.063353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.063353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.063353 (E_RNA)
where:
Base-Base interactions energy: -143.779
where: short stacking energy: -59.640
Base-Backbone interact. energy: -0.022
local terms energy: -75.262250
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -20.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -213.248831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.248831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.248831 (E_RNA)
where:
Base-Base interactions energy: -141.064
where: short stacking energy: -65.478
Base-Backbone interact. energy: -0.018
local terms energy: -72.167545
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -183.294973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.294973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.294973 (E_RNA)
where:
Base-Base interactions energy: -124.870
where: short stacking energy: -48.517
Base-Backbone interact. energy: -0.057
local terms energy: -58.368184
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -198.357052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.357052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.357052 (E_RNA)
where:
Base-Base interactions energy: -138.877
where: short stacking energy: -47.836
Base-Backbone interact. energy: -0.214
local terms energy: -59.265593
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -87.567278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.567278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.567278 (E_RNA)
where:
Base-Base interactions energy: -34.843
where: short stacking energy: -23.079
Base-Backbone interact. energy: -0.015
local terms energy: -52.709166
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -89.589347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.589347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.589347 (E_RNA)
where:
Base-Base interactions energy: -35.523
where: short stacking energy: -31.319
Base-Backbone interact. energy: -0.069
local terms energy: -53.997011
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -6.006
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: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -83.540696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.540696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.540696 (E_RNA)
where:
Base-Base interactions energy: -34.433
where: short stacking energy: -21.217
Base-Backbone interact. energy: -1.174
local terms energy: -47.933090
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -72.760369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.760369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.760369 (E_RNA)
where:
Base-Base interactions energy: -30.976
where: short stacking energy: -22.522
Base-Backbone interact. energy: -0.158
local terms energy: -41.626342
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -215.464555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.464555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.464555 (E_RNA)
where:
Base-Base interactions energy: -145.134
where: short stacking energy: -68.743
Base-Backbone interact. energy: -0.559
local terms energy: -69.771465
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -210.774263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.774263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.774263 (E_RNA)
where:
Base-Base interactions energy: -145.040
where: short stacking energy: -68.823
Base-Backbone interact. energy: -0.006
local terms energy: -65.728063
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -19.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -203.401878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.401878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.401878 (E_RNA)
where:
Base-Base interactions energy: -133.175
where: short stacking energy: -52.401
Base-Backbone interact. energy: -0.102
local terms energy: -70.124144
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -14.155
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: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -205.651218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.651218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.651218 (E_RNA)
where:
Base-Base interactions energy: -132.932
where: short stacking energy: -55.762
Base-Backbone interact. energy: -0.696
local terms energy: -72.022704
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -2.141
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -186.867682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.867682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.867682 (E_RNA)
where:
Base-Base interactions energy: -120.007
where: short stacking energy: -49.547
Base-Backbone interact. energy: -0.065
local terms energy: -66.795714
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -175.142535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.142535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.142535 (E_RNA)
where:
Base-Base interactions energy: -115.732
where: short stacking energy: -54.312
Base-Backbone interact. energy: -0.349
local terms energy: -59.060808
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -92.010874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.010874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.010874 (E_RNA)
where:
Base-Base interactions energy: -33.708
where: short stacking energy: -32.756
Base-Backbone interact. energy: -1.066
local terms energy: -57.237416
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -9.636
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: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -91.943779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.943779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.943779 (E_RNA)
where:
Base-Base interactions energy: -52.904
where: short stacking energy: -24.911
Base-Backbone interact. energy: -0.312
local terms energy: -38.727858
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -7.126
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: 0.059
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: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -81.284029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.284029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.284029 (E_RNA)
where:
Base-Base interactions energy: -33.585
where: short stacking energy: -30.067
Base-Backbone interact. energy: -0.490
local terms energy: -47.208769
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -7.989
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -7.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -65.265158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.265158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.265158 (E_RNA)
where:
Base-Base interactions energy: -23.357
where: short stacking energy: -18.536
Base-Backbone interact. energy: 0.721
local terms energy: -42.629276
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: 1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -215.580200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.580200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.580200 (E_RNA)
where:
Base-Base interactions energy: -148.533
where: short stacking energy: -59.658
Base-Backbone interact. energy: 0.069
local terms energy: -67.115982
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -13.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -219.032852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.032852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.032852 (E_RNA)
where:
Base-Base interactions energy: -150.733
where: short stacking energy: -56.434
Base-Backbone interact. energy: -0.002
local terms energy: -68.297248
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -211.353129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.353129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.353129 (E_RNA)
where:
Base-Base interactions energy: -139.071
where: short stacking energy: -51.476
Base-Backbone interact. energy: -0.085
local terms energy: -72.197410
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -213.358920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.358920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.358920 (E_RNA)
where:
Base-Base interactions energy: -145.521
where: short stacking energy: -53.197
Base-Backbone interact. energy: -0.099
local terms energy: -67.738792
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -15.280
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: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -199.593781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.593781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.593781 (E_RNA)
where:
Base-Base interactions energy: -135.141
where: short stacking energy: -52.034
Base-Backbone interact. energy: -0.003
local terms energy: -64.449518
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -182.568066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.568066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.568066 (E_RNA)
where:
Base-Base interactions energy: -123.818
where: short stacking energy: -55.203
Base-Backbone interact. energy: -0.056
local terms energy: -58.694362
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -7.049
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: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -91.545955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.545955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.545955 (E_RNA)
where:
Base-Base interactions energy: -38.941
where: short stacking energy: -32.920
Base-Backbone interact. energy: -0.964
local terms energy: -51.641186
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -88.668666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.668666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.668666 (E_RNA)
where:
Base-Base interactions energy: -32.393
where: short stacking energy: -20.851
Base-Backbone interact. energy: -0.120
local terms energy: -56.155357
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -89.791938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.791938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.791938 (E_RNA)
where:
Base-Base interactions energy: -28.955
where: short stacking energy: -28.955
Base-Backbone interact. energy: -0.168
local terms energy: -60.669362
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -73.106668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.106668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.106668 (E_RNA)
where:
Base-Base interactions energy: -21.446
where: short stacking energy: -21.446
Base-Backbone interact. energy: -0.492
local terms energy: -51.168254
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -225.025457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.025457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.025457 (E_RNA)
where:
Base-Base interactions energy: -153.847
where: short stacking energy: -51.920
Base-Backbone interact. energy: -0.004
local terms energy: -71.174575
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -205.142530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.142530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.142530 (E_RNA)
where:
Base-Base interactions energy: -144.513
where: short stacking energy: -57.453
Base-Backbone interact. energy: -0.478
local terms energy: -60.151277
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -12.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -202.527309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.527309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.527309 (E_RNA)
where:
Base-Base interactions energy: -139.758
where: short stacking energy: -53.273
Base-Backbone interact. energy: -0.628
local terms energy: -62.141704
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -213.930640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.930640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.930640 (E_RNA)
where:
Base-Base interactions energy: -136.379
where: short stacking energy: -65.922
Base-Backbone interact. energy: -0.023
local terms energy: -77.527806
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -18.581
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: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -187.676737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.676737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.676737 (E_RNA)
where:
Base-Base interactions energy: -121.745
where: short stacking energy: -48.746
Base-Backbone interact. energy: -0.094
local terms energy: -65.837185
where:
bonds (distance) C4'-P energy: -9.537
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -14.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -192.820889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.820889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.820889 (E_RNA)
where:
Base-Base interactions energy: -127.050
where: short stacking energy: -57.892
Base-Backbone interact. energy: -0.007
local terms energy: -65.763778
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -90.846914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.846914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.846914 (E_RNA)
where:
Base-Base interactions energy: -37.828
where: short stacking energy: -28.388
Base-Backbone interact. energy: -0.026
local terms energy: -52.992816
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -3.090
tors. eta vs tors. theta energy: -5.933
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: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -109.373959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.373959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.373959 (E_RNA)
where:
Base-Base interactions energy: -64.740
where: short stacking energy: -27.442
Base-Backbone interact. energy: 1.017
local terms energy: -45.651144
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -3.256
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: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -74.359739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.359739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.359739 (E_RNA)
where:
Base-Base interactions energy: -22.146
where: short stacking energy: -20.027
Base-Backbone interact. energy: -0.274
local terms energy: -51.940265
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -71.029493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.029493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.029493 (E_RNA)
where:
Base-Base interactions energy: -23.254
where: short stacking energy: -22.457
Base-Backbone interact. energy: -0.485
local terms energy: -47.290535
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -9.859
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -11.697
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: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -222.690829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.690829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.690829 (E_RNA)
where:
Base-Base interactions energy: -155.977
where: short stacking energy: -60.843
Base-Backbone interact. energy: -0.004
local terms energy: -66.710419
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -227.527769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.527769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.527769 (E_RNA)
where:
Base-Base interactions energy: -150.274
where: short stacking energy: -56.964
Base-Backbone interact. energy: -0.062
local terms energy: -77.192023
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -200.370721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.370721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.370721 (E_RNA)
where:
Base-Base interactions energy: -125.730
where: short stacking energy: -54.172
Base-Backbone interact. energy: -0.104
local terms energy: -74.536872
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -15.818
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: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -197.102071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.102071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.102071 (E_RNA)
where:
Base-Base interactions energy: -125.983
where: short stacking energy: -51.916
Base-Backbone interact. energy: -0.205
local terms energy: -70.913901
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -15.515
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: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -207.831484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.831484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.831484 (E_RNA)
where:
Base-Base interactions energy: -135.682
where: short stacking energy: -59.695
Base-Backbone interact. energy: -0.106
local terms energy: -72.044175
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -185.145626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.145626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.145626 (E_RNA)
where:
Base-Base interactions energy: -123.416
where: short stacking energy: -44.999
Base-Backbone interact. energy: -0.498
local terms energy: -61.231321
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -84.392808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.392808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.392808 (E_RNA)
where:
Base-Base interactions energy: -35.883
where: short stacking energy: -34.980
Base-Backbone interact. energy: 0.117
local terms energy: -48.626139
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -86.265948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.265948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.265948 (E_RNA)
where:
Base-Base interactions energy: -33.832
where: short stacking energy: -33.832
Base-Backbone interact. energy: -0.114
local terms energy: -52.319689
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -103.289525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.289525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.289525 (E_RNA)
where:
Base-Base interactions energy: -59.259
where: short stacking energy: -30.635
Base-Backbone interact. energy: 1.547
local terms energy: -45.577582
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -8.145
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -81.405649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.405649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.405649 (E_RNA)
where:
Base-Base interactions energy: -34.640
where: short stacking energy: -34.083
Base-Backbone interact. energy: -0.186
local terms energy: -46.579469
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -6.368
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -215.727157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.727157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.727157 (E_RNA)
where:
Base-Base interactions energy: -148.757
where: short stacking energy: -54.169
Base-Backbone interact. energy: -0.568
local terms energy: -66.402477
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -12.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -222.254720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.254720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.254720 (E_RNA)
where:
Base-Base interactions energy: -150.007
where: short stacking energy: -61.802
Base-Backbone interact. energy: -0.443
local terms energy: -71.804603
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -209.797753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.797753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.797753 (E_RNA)
where:
Base-Base interactions energy: -139.411
where: short stacking energy: -60.153
Base-Backbone interact. energy: 1.266
local terms energy: -71.653691
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -179.096353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.096353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.096353 (E_RNA)
where:
Base-Base interactions energy: -108.977
where: short stacking energy: -53.187
Base-Backbone interact. energy: -0.105
local terms energy: -70.014654
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -198.513122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.513122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.513122 (E_RNA)
where:
Base-Base interactions energy: -127.194
where: short stacking energy: -51.747
Base-Backbone interact. energy: -0.047
local terms energy: -71.271500
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -190.875498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.875498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.875498 (E_RNA)
where:
Base-Base interactions energy: -123.708
where: short stacking energy: -52.880
Base-Backbone interact. energy: 0.087
local terms energy: -67.253940
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -97.903929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.903929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.903929 (E_RNA)
where:
Base-Base interactions energy: -45.997
where: short stacking energy: -32.553
Base-Backbone interact. energy: -0.171
local terms energy: -51.735987
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -1.821
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: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -83.808601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.808601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.808601 (E_RNA)
where:
Base-Base interactions energy: -38.459
where: short stacking energy: -22.756
Base-Backbone interact. energy: -0.200
local terms energy: -45.149304
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -90.064673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.064673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.064673 (E_RNA)
where:
Base-Base interactions energy: -29.003
where: short stacking energy: -25.166
Base-Backbone interact. energy: -0.420
local terms energy: -60.642056
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -78.471390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.471390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.471390 (E_RNA)
where:
Base-Base interactions energy: -33.892
where: short stacking energy: -23.368
Base-Backbone interact. energy: -0.286
local terms energy: -44.293366
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -226.954652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.954652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.954652 (E_RNA)
where:
Base-Base interactions energy: -159.152
where: short stacking energy: -51.393
Base-Backbone interact. energy: -0.023
local terms energy: -67.778910
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -217.691883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.691883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.691883 (E_RNA)
where:
Base-Base interactions energy: -145.250
where: short stacking energy: -62.436
Base-Backbone interact. energy: -0.376
local terms energy: -72.065879
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -218.841680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.841680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.841680 (E_RNA)
where:
Base-Base interactions energy: -153.484
where: short stacking energy: -55.721
Base-Backbone interact. energy: 0.422
local terms energy: -65.779775
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -15.889
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: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -200.413815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.413815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.413815 (E_RNA)
where:
Base-Base interactions energy: -144.649
where: short stacking energy: -46.921
Base-Backbone interact. energy: -0.412
local terms energy: -55.353040
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -9.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -190.021673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.021673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.021673 (E_RNA)
where:
Base-Base interactions energy: -124.673
where: short stacking energy: -53.883
Base-Backbone interact. energy: -0.080
local terms energy: -65.269252
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -17.932
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: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -195.889016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.889016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.889016 (E_RNA)
where:
Base-Base interactions energy: -123.514
where: short stacking energy: -50.789
Base-Backbone interact. energy: -0.035
local terms energy: -72.340001
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -97.983696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.983696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.983696 (E_RNA)
where:
Base-Base interactions energy: -48.044
where: short stacking energy: -27.159
Base-Backbone interact. energy: -0.388
local terms energy: -49.551691
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -96.943795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.943795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.943795 (E_RNA)
where:
Base-Base interactions energy: -36.449
where: short stacking energy: -36.449
Base-Backbone interact. energy: -0.031
local terms energy: -60.463615
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -76.741522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.741522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.741522 (E_RNA)
where:
Base-Base interactions energy: -26.905
where: short stacking energy: -12.773
Base-Backbone interact. energy: -1.488
local terms energy: -48.349420
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: 2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -95.555009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.555009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.555009 (E_RNA)
where:
Base-Base interactions energy: -60.760
where: short stacking energy: -28.627
Base-Backbone interact. energy: 0.146
local terms energy: -34.940992
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -2.276
tors. eta vs tors. theta energy: 0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -221.112764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.112764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.112764 (E_RNA)
where:
Base-Base interactions energy: -151.957
where: short stacking energy: -60.733
Base-Backbone interact. energy: -0.101
local terms energy: -69.054356
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -218.353948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.353948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.353948 (E_RNA)
where:
Base-Base interactions energy: -136.363
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.013
local terms energy: -81.977196
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -22.430
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: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -203.546517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.546517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.546517 (E_RNA)
where:
Base-Base interactions energy: -136.774
where: short stacking energy: -54.234
Base-Backbone interact. energy: -0.037
local terms energy: -66.735592
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -186.612105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.612105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.612105 (E_RNA)
where:
Base-Base interactions energy: -129.268
where: short stacking energy: -50.813
Base-Backbone interact. energy: -0.151
local terms energy: -57.192775
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -2.514
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -189.189989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.189989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.189989 (E_RNA)
where:
Base-Base interactions energy: -126.674
where: short stacking energy: -42.920
Base-Backbone interact. energy: -0.142
local terms energy: -62.373813
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -12.420
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: 6, replica: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -186.487418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.487418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.487418 (E_RNA)
where:
Base-Base interactions energy: -115.012
where: short stacking energy: -54.045
Base-Backbone interact. energy: 1.151
local terms energy: -72.625669
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -99.478463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.478463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.478463 (E_RNA)
where:
Base-Base interactions energy: -56.134
where: short stacking energy: -37.178
Base-Backbone interact. energy: -0.207
local terms energy: -43.137349
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -8.151
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -86.739250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.739250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.739250 (E_RNA)
where:
Base-Base interactions energy: -38.626
where: short stacking energy: -36.660
Base-Backbone interact. energy: -0.104
local terms energy: -48.009416
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -6.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -79.847200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.847200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.847200 (E_RNA)
where:
Base-Base interactions energy: -35.303
where: short stacking energy: -30.872
Base-Backbone interact. energy: -0.172
local terms energy: -44.371632
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -8.690
flat angles P-C4'-P energy: -7.908
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: 10, replica: 2
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -77.973522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.973522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.973522 (E_RNA)
where:
Base-Base interactions energy: -23.765
where: short stacking energy: -23.274
Base-Backbone interact. energy: -1.171
local terms energy: -53.037466
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -8.581
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: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -222.582406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.582406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.582406 (E_RNA)
where:
Base-Base interactions energy: -142.723
where: short stacking energy: -66.937
Base-Backbone interact. energy: -2.024
local terms energy: -77.835664
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -226.231088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.231088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.231088 (E_RNA)
where:
Base-Base interactions energy: -140.463
where: short stacking energy: -74.576
Base-Backbone interact. energy: -0.169
local terms energy: -85.599079
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -23.311
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: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -205.870733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.870733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.870733 (E_RNA)
where:
Base-Base interactions energy: -150.064
where: short stacking energy: -50.683
Base-Backbone interact. energy: -0.209
local terms energy: -55.597621
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -11.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -203.068647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.068647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.068647 (E_RNA)
where:
Base-Base interactions energy: -133.108
where: short stacking energy: -60.864
Base-Backbone interact. energy: -0.279
local terms energy: -69.682049
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -19.155
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: 169
Temperature: 1.100000
Total energy: -200.751974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.751974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.751974 (E_RNA)
where:
Base-Base interactions energy: -137.353
where: short stacking energy: -44.144
Base-Backbone interact. energy: -0.498
local terms energy: -62.900182
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -12.479
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: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -196.400214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.400214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.400214 (E_RNA)
where:
Base-Base interactions energy: -127.866
where: short stacking energy: -48.986
Base-Backbone interact. energy: -0.516
local terms energy: -68.018425
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -86.844502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.844502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.844502 (E_RNA)
where:
Base-Base interactions energy: -34.490
where: short stacking energy: -31.389
Base-Backbone interact. energy: -0.195
local terms energy: -52.159611
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -86.883364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.883364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.883364 (E_RNA)
where:
Base-Base interactions energy: -41.858
where: short stacking energy: -24.285
Base-Backbone interact. energy: -0.127
local terms energy: -44.897887
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -9.590
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -86.305537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.305537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.305537 (E_RNA)
where:
Base-Base interactions energy: -31.095
where: short stacking energy: -31.095
Base-Backbone interact. energy: -0.004
local terms energy: -55.206469
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -9.266
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: 10, replica: 2
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -67.970024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.970024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.970024 (E_RNA)
where:
Base-Base interactions energy: -21.487
where: short stacking energy: -21.487
Base-Backbone interact. energy: 0.837
local terms energy: -47.319174
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -225.309037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.309037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.309037 (E_RNA)
where:
Base-Base interactions energy: -148.835
where: short stacking energy: -72.695
Base-Backbone interact. energy: -0.640
local terms energy: -75.834244
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -224.225993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.225993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.225993 (E_RNA)
where:
Base-Base interactions energy: -143.185
where: short stacking energy: -67.463
Base-Backbone interact. energy: -0.040
local terms energy: -81.000755
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -221.296826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.296826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.296826 (E_RNA)
where:
Base-Base interactions energy: -146.980
where: short stacking energy: -63.660
Base-Backbone interact. energy: -0.138
local terms energy: -74.178669
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -18.785
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: 170
Temperature: 1.050000
Total energy: -199.988831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.988831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.988831 (E_RNA)
where:
Base-Base interactions energy: -132.708
where: short stacking energy: -55.703
Base-Backbone interact. energy: -0.021
local terms energy: -67.259988
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -1.261
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -206.766320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.766320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.766320 (E_RNA)
where:
Base-Base interactions energy: -136.922
where: short stacking energy: -53.535
Base-Backbone interact. energy: -0.007
local terms energy: -69.837614
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -176.001015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.001015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.001015 (E_RNA)
where:
Base-Base interactions energy: -117.405
where: short stacking energy: -36.628
Base-Backbone interact. energy: -0.634
local terms energy: -57.962551
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -89.303920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.303920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.303920 (E_RNA)
where:
Base-Base interactions energy: -37.646
where: short stacking energy: -37.346
Base-Backbone interact. energy: -0.062
local terms energy: -51.595988
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -88.192118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.192118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.192118 (E_RNA)
where:
Base-Base interactions energy: -29.744
where: short stacking energy: -28.201
Base-Backbone interact. energy: -0.191
local terms energy: -58.257067
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -8.691
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: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -78.750473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.750473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.750473 (E_RNA)
where:
Base-Base interactions energy: -24.609
where: short stacking energy: -24.609
Base-Backbone interact. energy: -0.118
local terms energy: -54.024273
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -64.108823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.108823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.108823 (E_RNA)
where:
Base-Base interactions energy: -21.699
where: short stacking energy: -15.178
Base-Backbone interact. energy: -0.091
local terms energy: -42.318540
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -223.380380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.380380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.380380 (E_RNA)
where:
Base-Base interactions energy: -147.003
where: short stacking energy: -58.627
Base-Backbone interact. energy: -0.013
local terms energy: -76.364728
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -219.934280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.934280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.934280 (E_RNA)
where:
Base-Base interactions energy: -148.232
where: short stacking energy: -62.882
Base-Backbone interact. energy: -0.567
local terms energy: -71.135542
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -219.489808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.489808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.489808 (E_RNA)
where:
Base-Base interactions energy: -140.779
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.638
local terms energy: -78.072463
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -21.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -208.220033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.220033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.220033 (E_RNA)
where:
Base-Base interactions energy: -142.366
where: short stacking energy: -57.243
Base-Backbone interact. energy: -0.947
local terms energy: -64.906441
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -203.830223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.830223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.830223 (E_RNA)
where:
Base-Base interactions energy: -134.772
where: short stacking energy: -57.222
Base-Backbone interact. energy: -0.028
local terms energy: -69.031150
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -175.001778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.001778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.001778 (E_RNA)
where:
Base-Base interactions energy: -113.110
where: short stacking energy: -55.409
Base-Backbone interact. energy: -0.339
local terms energy: -61.552231
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -85.721232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.721232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.721232 (E_RNA)
where:
Base-Base interactions energy: -26.511
where: short stacking energy: -25.897
Base-Backbone interact. energy: -0.315
local terms energy: -58.895063
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -89.668131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668131 (E_RNA)
where:
Base-Base interactions energy: -36.377
where: short stacking energy: -30.212
Base-Backbone interact. energy: 0.227
local terms energy: -53.518626
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -74.014532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.014532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.014532 (E_RNA)
where:
Base-Base interactions energy: -28.700
where: short stacking energy: -19.440
Base-Backbone interact. energy: -0.348
local terms energy: -44.966599
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -4.241
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: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -75.009708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.009708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.009708 (E_RNA)
where:
Base-Base interactions energy: -28.003
where: short stacking energy: -26.567
Base-Backbone interact. energy: -0.911
local terms energy: -46.095851
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -229.082240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.082240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.082240 (E_RNA)
where:
Base-Base interactions energy: -156.263
where: short stacking energy: -66.587
Base-Backbone interact. energy: -0.059
local terms energy: -72.760260
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -212.202841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.202841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.202841 (E_RNA)
where:
Base-Base interactions energy: -139.592
where: short stacking energy: -55.160
Base-Backbone interact. energy: -0.013
local terms energy: -72.597826
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -222.408602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.408602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.408602 (E_RNA)
where:
Base-Base interactions energy: -158.329
where: short stacking energy: -60.110
Base-Backbone interact. energy: 0.740
local terms energy: -64.820172
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -8.468
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -15.613
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: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -210.488718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.488718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.488718 (E_RNA)
where:
Base-Base interactions energy: -145.455
where: short stacking energy: -54.075
Base-Backbone interact. energy: -0.084
local terms energy: -64.949242
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -182.732100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.732100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.732100 (E_RNA)
where:
Base-Base interactions energy: -118.870
where: short stacking energy: -48.263
Base-Backbone interact. energy: 0.762
local terms energy: -64.623653
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -208.818032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.818032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.818032 (E_RNA)
where:
Base-Base interactions energy: -139.203
where: short stacking energy: -51.239
Base-Backbone interact. energy: -0.064
local terms energy: -69.550386
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -96.509253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.509253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.509253 (E_RNA)
where:
Base-Base interactions energy: -60.051
where: short stacking energy: -26.401
Base-Backbone interact. energy: -0.103
local terms energy: -36.354819
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -4.824
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -80.804632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.804632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.804632 (E_RNA)
where:
Base-Base interactions energy: -30.101
where: short stacking energy: -25.879
Base-Backbone interact. energy: 0.509
local terms energy: -51.212154
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: 0.582
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: 172
Temperature: 1.300000
Total energy: -91.460968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.460968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.460968 (E_RNA)
where:
Base-Base interactions energy: -50.106
where: short stacking energy: -33.558
Base-Backbone interact. energy: 1.631
local terms energy: -42.986163
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -4.348
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: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -85.672981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.672981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.672981 (E_RNA)
where:
Base-Base interactions energy: -36.298
where: short stacking energy: -29.579
Base-Backbone interact. energy: -0.252
local terms energy: -49.123474
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -5.923
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: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -227.402083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.402083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.402083 (E_RNA)
where:
Base-Base interactions energy: -147.001
where: short stacking energy: -64.495
Base-Backbone interact. energy: -0.579
local terms energy: -79.821608
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -221.461482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.461482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.461482 (E_RNA)
where:
Base-Base interactions energy: -147.183
where: short stacking energy: -59.010
Base-Backbone interact. energy: -0.004
local terms energy: -74.274458
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -200.283356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.283356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.283356 (E_RNA)
where:
Base-Base interactions energy: -141.198
where: short stacking energy: -56.869
Base-Backbone interact. energy: -0.441
local terms energy: -58.644057
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -3.535
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -181.105534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.105534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.105534 (E_RNA)
where:
Base-Base interactions energy: -113.477
where: short stacking energy: -54.575
Base-Backbone interact. energy: -0.052
local terms energy: -67.576000
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -201.288924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.288924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.288924 (E_RNA)
where:
Base-Base interactions energy: -137.935
where: short stacking energy: -52.200
Base-Backbone interact. energy: -0.028
local terms energy: -63.326596
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -188.835061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.835061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.835061 (E_RNA)
where:
Base-Base interactions energy: -128.163
where: short stacking energy: -56.033
Base-Backbone interact. energy: -0.010
local terms energy: -60.661618
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -112.627829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.627829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.627829 (E_RNA)
where:
Base-Base interactions energy: -52.844
where: short stacking energy: -35.562
Base-Backbone interact. energy: -0.007
local terms energy: -59.776506
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -86.633518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.633518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.633518 (E_RNA)
where:
Base-Base interactions energy: -39.247
where: short stacking energy: -39.247
Base-Backbone interact. energy: -0.055
local terms energy: -47.330951
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -7.807
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -101.109797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.109797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.109797 (E_RNA)
where:
Base-Base interactions energy: -52.277
where: short stacking energy: -20.553
Base-Backbone interact. energy: -0.055
local terms energy: -48.778039
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: 0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -84.486205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.486205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.486205 (E_RNA)
where:
Base-Base interactions energy: -41.725
where: short stacking energy: -19.671
Base-Backbone interact. energy: -1.272
local terms energy: -41.489265
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -7.146
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: 1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -219.754742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.754742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.754742 (E_RNA)
where:
Base-Base interactions energy: -150.118
where: short stacking energy: -59.818
Base-Backbone interact. energy: -1.484
local terms energy: -68.153472
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -221.617772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.617772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.617772 (E_RNA)
where:
Base-Base interactions energy: -151.364
where: short stacking energy: -53.459
Base-Backbone interact. energy: 1.257
local terms energy: -71.510538
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -195.059913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.059913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.059913 (E_RNA)
where:
Base-Base interactions energy: -134.906
where: short stacking energy: -46.009
Base-Backbone interact. energy: -0.327
local terms energy: -59.826247
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -10.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -198.384389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.384389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.384389 (E_RNA)
where:
Base-Base interactions energy: -130.549
where: short stacking energy: -53.674
Base-Backbone interact. energy: -0.100
local terms energy: -67.735387
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -198.391763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.391763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.391763 (E_RNA)
where:
Base-Base interactions energy: -130.496
where: short stacking energy: -55.189
Base-Backbone interact. energy: -0.045
local terms energy: -67.850102
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -199.008869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.008869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.008869 (E_RNA)
where:
Base-Base interactions energy: -134.591
where: short stacking energy: -44.255
Base-Backbone interact. energy: -0.049
local terms energy: -64.369379
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -79.534211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.534211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.534211 (E_RNA)
where:
Base-Base interactions energy: -30.446
where: short stacking energy: -15.249
Base-Backbone interact. energy: -0.269
local terms energy: -48.818778
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -8.701
flat angles P-C4'-P energy: -9.173
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: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -84.850288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.850288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.850288 (E_RNA)
where:
Base-Base interactions energy: -37.165
where: short stacking energy: -23.628
Base-Backbone interact. energy: -0.194
local terms energy: -47.491812
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: 0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -70.801444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.801444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.801444 (E_RNA)
where:
Base-Base interactions energy: -23.801
where: short stacking energy: -19.819
Base-Backbone interact. energy: -0.016
local terms energy: -46.984530
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -74.959455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.959455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.959455 (E_RNA)
where:
Base-Base interactions energy: -33.915
where: short stacking energy: -24.527
Base-Backbone interact. energy: -0.493
local terms energy: -40.551692
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -8.928
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -3.328
tors. eta vs tors. theta energy: 0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -221.834044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.834044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.834044 (E_RNA)
where:
Base-Base interactions energy: -141.075
where: short stacking energy: -70.072
Base-Backbone interact. energy: -0.413
local terms energy: -80.346412
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -223.475325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.475325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.475325 (E_RNA)
where:
Base-Base interactions energy: -157.391
where: short stacking energy: -54.704
Base-Backbone interact. energy: -0.106
local terms energy: -65.978885
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -9.867
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: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -201.014251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.014251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.014251 (E_RNA)
where:
Base-Base interactions energy: -132.546
where: short stacking energy: -46.759
Base-Backbone interact. energy: -0.128
local terms energy: -68.339812
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -202.817024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.817024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.817024 (E_RNA)
where:
Base-Base interactions energy: -133.798
where: short stacking energy: -55.041
Base-Backbone interact. energy: -0.151
local terms energy: -68.867873
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -184.033228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.033228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.033228 (E_RNA)
where:
Base-Base interactions energy: -122.497
where: short stacking energy: -50.685
Base-Backbone interact. energy: -0.100
local terms energy: -61.435746
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -10.543
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: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -186.992944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.992944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.992944 (E_RNA)
where:
Base-Base interactions energy: -121.604
where: short stacking energy: -64.038
Base-Backbone interact. energy: -0.883
local terms energy: -64.505593
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -92.762649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.762649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.762649 (E_RNA)
where:
Base-Base interactions energy: -40.854
where: short stacking energy: -30.488
Base-Backbone interact. energy: -0.282
local terms energy: -51.626911
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -5.217
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: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -76.093721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.093721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.093721 (E_RNA)
where:
Base-Base interactions energy: -20.491
where: short stacking energy: -15.150
Base-Backbone interact. energy: -1.133
local terms energy: -54.469433
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: 0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -77.201379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.201379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.201379 (E_RNA)
where:
Base-Base interactions energy: -28.499
where: short stacking energy: -19.898
Base-Backbone interact. energy: -0.869
local terms energy: -47.834005
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -79.207212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.207212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.207212 (E_RNA)
where:
Base-Base interactions energy: -28.260
where: short stacking energy: -26.088
Base-Backbone interact. energy: 1.409
local terms energy: -52.356854
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -228.880435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.880435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.880435 (E_RNA)
where:
Base-Base interactions energy: -155.701
where: short stacking energy: -55.331
Base-Backbone interact. energy: -0.136
local terms energy: -73.043563
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -217.912695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.912695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.912695 (E_RNA)
where:
Base-Base interactions energy: -148.663
where: short stacking energy: -60.271
Base-Backbone interact. energy: -0.600
local terms energy: -68.650501
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -7.713
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -19.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -222.395669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.395669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.395669 (E_RNA)
where:
Base-Base interactions energy: -152.052
where: short stacking energy: -62.210
Base-Backbone interact. energy: -0.025
local terms energy: -70.318668
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -13.526
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: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -203.794907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.794907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.794907 (E_RNA)
where:
Base-Base interactions energy: -136.132
where: short stacking energy: -49.528
Base-Backbone interact. energy: -0.524
local terms energy: -67.139446
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -13.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -189.027696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.027696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.027696 (E_RNA)
where:
Base-Base interactions energy: -118.273
where: short stacking energy: -56.597
Base-Backbone interact. energy: -0.050
local terms energy: -70.704694
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -185.893711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.893711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.893711 (E_RNA)
where:
Base-Base interactions energy: -132.342
where: short stacking energy: -46.292
Base-Backbone interact. energy: -0.201
local terms energy: -53.350717
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -10.197
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: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -93.244528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.244528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.244528 (E_RNA)
where:
Base-Base interactions energy: -48.562
where: short stacking energy: -25.975
Base-Backbone interact. energy: 1.309
local terms energy: -45.991537
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: 1.116
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: 176
Temperature: 1.250000
Total energy: -83.061439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.061439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.061439 (E_RNA)
where:
Base-Base interactions energy: -27.376
where: short stacking energy: -26.360
Base-Backbone interact. energy: -0.684
local terms energy: -55.000717
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -78.885318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.885318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.885318 (E_RNA)
where:
Base-Base interactions energy: -33.831
where: short stacking energy: -28.239
Base-Backbone interact. energy: -0.259
local terms energy: -44.795497
where:
bonds (distance) C4'-P energy: -7.872
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -83.553137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.553137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.553137 (E_RNA)
where:
Base-Base interactions energy: -30.596
where: short stacking energy: -18.567
Base-Backbone interact. energy: 0.872
local terms energy: -53.829167
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -10.883
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: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -223.092596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.092596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.092596 (E_RNA)
where:
Base-Base interactions energy: -146.403
where: short stacking energy: -58.417
Base-Backbone interact. energy: -0.098
local terms energy: -76.591371
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -226.871426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.871426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.871426 (E_RNA)
where:
Base-Base interactions energy: -158.552
where: short stacking energy: -61.705
Base-Backbone interact. energy: 0.313
local terms energy: -68.632325
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -208.003493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.003493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.003493 (E_RNA)
where:
Base-Base interactions energy: -144.823
where: short stacking energy: -62.598
Base-Backbone interact. energy: 0.488
local terms energy: -63.669009
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -15.355
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: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -194.468020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.468020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.468020 (E_RNA)
where:
Base-Base interactions energy: -128.890
where: short stacking energy: -61.729
Base-Backbone interact. energy: -0.002
local terms energy: -65.575347
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -185.494485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.494485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.494485 (E_RNA)
where:
Base-Base interactions energy: -125.273
where: short stacking energy: -48.557
Base-Backbone interact. energy: -0.114
local terms energy: -60.106979
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -8.794
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: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -173.826685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.826685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.826685 (E_RNA)
where:
Base-Base interactions energy: -113.288
where: short stacking energy: -41.717
Base-Backbone interact. energy: -0.240
local terms energy: -60.298647
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -86.429625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.429625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.429625 (E_RNA)
where:
Base-Base interactions energy: -27.832
where: short stacking energy: -26.441
Base-Backbone interact. energy: -0.028
local terms energy: -58.569575
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -89.090978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.090978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.090978 (E_RNA)
where:
Base-Base interactions energy: -30.101
where: short stacking energy: -30.101
Base-Backbone interact. energy: 0.027
local terms energy: -59.017420
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -78.608783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.608783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.608783 (E_RNA)
where:
Base-Base interactions energy: -32.002
where: short stacking energy: -32.002
Base-Backbone interact. energy: -0.120
local terms energy: -46.486787
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -80.289203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.289203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.289203 (E_RNA)
where:
Base-Base interactions energy: -33.706
where: short stacking energy: -15.845
Base-Backbone interact. energy: -0.138
local terms energy: -46.444977
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: 1.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -225.816276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.816276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.816276 (E_RNA)
where:
Base-Base interactions energy: -143.328
where: short stacking energy: -69.790
Base-Backbone interact. energy: -0.014
local terms energy: -82.473888
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -21.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -220.792328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.792328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.792328 (E_RNA)
where:
Base-Base interactions energy: -151.583
where: short stacking energy: -70.034
Base-Backbone interact. energy: -0.032
local terms energy: -69.177202
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -219.138794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.138794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.138794 (E_RNA)
where:
Base-Base interactions energy: -151.286
where: short stacking energy: -64.391
Base-Backbone interact. energy: -0.564
local terms energy: -67.288259
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -179.899623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.899623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.899623 (E_RNA)
where:
Base-Base interactions energy: -107.540
where: short stacking energy: -60.209
Base-Backbone interact. energy: -0.004
local terms energy: -72.355283
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -16.038
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: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -197.888758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.888758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.888758 (E_RNA)
where:
Base-Base interactions energy: -133.337
where: short stacking energy: -63.037
Base-Backbone interact. energy: -0.590
local terms energy: -63.961868
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -184.885641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.885641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.885641 (E_RNA)
where:
Base-Base interactions energy: -122.412
where: short stacking energy: -46.129
Base-Backbone interact. energy: -0.355
local terms energy: -62.118669
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -93.729500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.729500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.729500 (E_RNA)
where:
Base-Base interactions energy: -35.706
where: short stacking energy: -32.205
Base-Backbone interact. energy: -0.055
local terms energy: -57.968252
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -91.614754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.614754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.614754 (E_RNA)
where:
Base-Base interactions energy: -40.369
where: short stacking energy: -25.953
Base-Backbone interact. energy: -0.018
local terms energy: -51.227844
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -76.985665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.985665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.985665 (E_RNA)
where:
Base-Base interactions energy: -23.702
where: short stacking energy: -17.960
Base-Backbone interact. energy: 0.132
local terms energy: -53.415174
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -80.368260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.368260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.368260 (E_RNA)
where:
Base-Base interactions energy: -29.814
where: short stacking energy: -30.014
Base-Backbone interact. energy: 0.018
local terms energy: -50.571567
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: 0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -222.167694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.167694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.167694 (E_RNA)
where:
Base-Base interactions energy: -144.201
where: short stacking energy: -67.424
Base-Backbone interact. energy: -0.723
local terms energy: -77.243650
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -218.947692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.947692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.947692 (E_RNA)
where:
Base-Base interactions energy: -142.643
where: short stacking energy: -58.668
Base-Backbone interact. energy: -2.027
local terms energy: -74.277234
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -21.860
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: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -215.690784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.690784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.690784 (E_RNA)
where:
Base-Base interactions energy: -139.396
where: short stacking energy: -60.615
Base-Backbone interact. energy: -1.332
local terms energy: -74.962166
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -15.712
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: 4, replica: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -195.770345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.770345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.770345 (E_RNA)
where:
Base-Base interactions energy: -123.942
where: short stacking energy: -49.630
Base-Backbone interact. energy: -0.112
local terms energy: -71.716310
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -161.879962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.879962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.879962 (E_RNA)
where:
Base-Base interactions energy: -98.537
where: short stacking energy: -49.876
Base-Backbone interact. energy: -0.427
local terms energy: -62.915748
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -178.284452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.284452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.284452 (E_RNA)
where:
Base-Base interactions energy: -110.105
where: short stacking energy: -47.548
Base-Backbone interact. energy: -0.166
local terms energy: -68.014071
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -11.151
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: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -92.958710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.958710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.958710 (E_RNA)
where:
Base-Base interactions energy: -38.523
where: short stacking energy: -33.304
Base-Backbone interact. energy: -0.077
local terms energy: -54.358816
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -8.058
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: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -82.256163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.256163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.256163 (E_RNA)
where:
Base-Base interactions energy: -30.513
where: short stacking energy: -28.400
Base-Backbone interact. energy: -0.516
local terms energy: -51.227817
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -6.587
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: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -78.129460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.129460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.129460 (E_RNA)
where:
Base-Base interactions energy: -27.454
where: short stacking energy: -27.454
Base-Backbone interact. energy: -0.104
local terms energy: -50.571757
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -11.616
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: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -70.870799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.870799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.870799 (E_RNA)
where:
Base-Base interactions energy: -24.465
where: short stacking energy: -21.120
Base-Backbone interact. energy: 0.787
local terms energy: -47.192875
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -218.597093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.597093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.597093 (E_RNA)
where:
Base-Base interactions energy: -147.361
where: short stacking energy: -71.260
Base-Backbone interact. energy: -0.017
local terms energy: -71.218981
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -212.593067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.593067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.593067 (E_RNA)
where:
Base-Base interactions energy: -141.914
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.023
local terms energy: -70.655396
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -18.374
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: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -201.952880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.952880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.952880 (E_RNA)
where:
Base-Base interactions energy: -138.388
where: short stacking energy: -49.284
Base-Backbone interact. energy: -0.104
local terms energy: -63.460619
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -190.115719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.115719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.115719 (E_RNA)
where:
Base-Base interactions energy: -135.017
where: short stacking energy: -41.844
Base-Backbone interact. energy: -0.754
local terms energy: -54.344939
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -187.110850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.110850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.110850 (E_RNA)
where:
Base-Base interactions energy: -125.628
where: short stacking energy: -55.777
Base-Backbone interact. energy: -0.032
local terms energy: -61.450369
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -7.741
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -152.610447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.610447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.610447 (E_RNA)
where:
Base-Base interactions energy: -92.945
where: short stacking energy: -52.331
Base-Backbone interact. energy: -0.002
local terms energy: -59.663965
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -7.301
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -132.979912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.979912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.979912 (E_RNA)
where:
Base-Base interactions energy: -69.933
where: short stacking energy: -42.237
Base-Backbone interact. energy: -0.187
local terms energy: -62.860027
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -81.593014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.593014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.593014 (E_RNA)
where:
Base-Base interactions energy: -35.810
where: short stacking energy: -34.600
Base-Backbone interact. energy: -0.268
local terms energy: -45.514992
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -2.442
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -80.081900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.081900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.081900 (E_RNA)
where:
Base-Base interactions energy: -28.990
where: short stacking energy: -18.330
Base-Backbone interact. energy: -0.189
local terms energy: -50.902869
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -9.118
flat angles P-C4'-P energy: -7.542
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: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -78.282928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.282928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.282928 (E_RNA)
where:
Base-Base interactions energy: -26.606
where: short stacking energy: -25.305
Base-Backbone interact. energy: -0.033
local terms energy: -51.643259
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -232.860808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.860808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.860808 (E_RNA)
where:
Base-Base interactions energy: -154.323
where: short stacking energy: -70.613
Base-Backbone interact. energy: -0.232
local terms energy: -78.305612
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -21.327
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: 181
Temperature: 0.950000
Total energy: -217.346256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.346256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.346256 (E_RNA)
where:
Base-Base interactions energy: -147.678
where: short stacking energy: -56.838
Base-Backbone interact. energy: -0.320
local terms energy: -69.348684
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -214.841820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.841820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.841820 (E_RNA)
where:
Base-Base interactions energy: -143.519
where: short stacking energy: -66.182
Base-Backbone interact. energy: -0.001
local terms energy: -71.322409
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -20.979
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: 181
Temperature: 1.050000
Total energy: -199.040247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.040247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.040247 (E_RNA)
where:
Base-Base interactions energy: -131.809
where: short stacking energy: -50.674
Base-Backbone interact. energy: -0.314
local terms energy: -66.917065
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -209.004755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.004755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.004755 (E_RNA)
where:
Base-Base interactions energy: -142.839
where: short stacking energy: -65.819
Base-Backbone interact. energy: -0.126
local terms energy: -66.039794
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -128.389122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.389122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.389122 (E_RNA)
where:
Base-Base interactions energy: -65.899
where: short stacking energy: -34.084
Base-Backbone interact. energy: -0.496
local terms energy: -61.993603
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -146.438427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.438427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.438427 (E_RNA)
where:
Base-Base interactions energy: -93.406
where: short stacking energy: -45.329
Base-Backbone interact. energy: -0.218
local terms energy: -52.814248
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -5.564
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: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -82.068047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.068047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.068047 (E_RNA)
where:
Base-Base interactions energy: -33.697
where: short stacking energy: -29.821
Base-Backbone interact. energy: 0.473
local terms energy: -48.843428
where:
bonds (distance) C4'-P energy: -8.744
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -7.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -78.687557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.687557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.687557 (E_RNA)
where:
Base-Base interactions energy: -25.761
where: short stacking energy: -25.761
Base-Backbone interact. energy: -0.040
local terms energy: -52.885969
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -69.170743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.170743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.170743 (E_RNA)
where:
Base-Base interactions energy: -19.991
where: short stacking energy: -19.991
Base-Backbone interact. energy: -0.309
local terms energy: -48.871477
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: 0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -225.398155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.398155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.398155 (E_RNA)
where:
Base-Base interactions energy: -147.691
where: short stacking energy: -67.910
Base-Backbone interact. energy: -0.071
local terms energy: -77.636436
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -19.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -214.935562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.935562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.935562 (E_RNA)
where:
Base-Base interactions energy: -141.011
where: short stacking energy: -52.780
Base-Backbone interact. energy: -0.199
local terms energy: -73.725949
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -14.867
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: 182
Temperature: 1.000000
Total energy: -216.849241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.849241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.849241 (E_RNA)
where:
Base-Base interactions energy: -144.179
where: short stacking energy: -64.834
Base-Backbone interact. energy: -0.176
local terms energy: -72.494960
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -17.889
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: 182
Temperature: 1.050000
Total energy: -201.911046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.911046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.911046 (E_RNA)
where:
Base-Base interactions energy: -132.844
where: short stacking energy: -52.813
Base-Backbone interact. energy: -0.215
local terms energy: -68.851468
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -218.171393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.171393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.171393 (E_RNA)
where:
Base-Base interactions energy: -140.672
where: short stacking energy: -70.789
Base-Backbone interact. energy: -0.260
local terms energy: -77.239830
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -157.552423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.552423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.552423 (E_RNA)
where:
Base-Base interactions energy: -100.288
where: short stacking energy: -51.447
Base-Backbone interact. energy: 1.923
local terms energy: -59.187541
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -11.769
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: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -142.933906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.933906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.933906 (E_RNA)
where:
Base-Base interactions energy: -94.700
where: short stacking energy: -45.214
Base-Backbone interact. energy: 2.033
local terms energy: -50.266242
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -8.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -103.321776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.321776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.321776 (E_RNA)
where:
Base-Base interactions energy: -49.659
where: short stacking energy: -36.060
Base-Backbone interact. energy: -0.117
local terms energy: -53.545988
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -90.091342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.091342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.091342 (E_RNA)
where:
Base-Base interactions energy: -41.776
where: short stacking energy: -24.347
Base-Backbone interact. energy: 0.252
local terms energy: -48.567226
where:
bonds (distance) C4'-P energy: -6.043
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -10.037
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: 10, replica: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -78.446456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.446456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.446456 (E_RNA)
where:
Base-Base interactions energy: -31.954
where: short stacking energy: -26.206
Base-Backbone interact. energy: -0.106
local terms energy: -46.386833
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -3.642
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -219.178230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.178230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.178230 (E_RNA)
where:
Base-Base interactions energy: -139.515
where: short stacking energy: -59.959
Base-Backbone interact. energy: -0.010
local terms energy: -79.653647
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -18.293
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: 2, replica: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -226.782447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.782447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.782447 (E_RNA)
where:
Base-Base interactions energy: -149.810
where: short stacking energy: -70.593
Base-Backbone interact. energy: -0.590
local terms energy: -76.381878
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -21.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -201.237105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.237105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.237105 (E_RNA)
where:
Base-Base interactions energy: -136.248
where: short stacking energy: -54.619
Base-Backbone interact. energy: -0.207
local terms energy: -64.782486
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -215.112391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.112391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.112391 (E_RNA)
where:
Base-Base interactions energy: -137.829
where: short stacking energy: -57.392
Base-Backbone interact. energy: -0.878
local terms energy: -76.405974
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -191.338557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.338557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.338557 (E_RNA)
where:
Base-Base interactions energy: -130.443
where: short stacking energy: -50.044
Base-Backbone interact. energy: -0.082
local terms energy: -60.812974
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -4.609
tors. eta vs tors. theta energy: -12.082
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: 6, replica: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -144.255806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.255806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.255806 (E_RNA)
where:
Base-Base interactions energy: -84.604
where: short stacking energy: -41.163
Base-Backbone interact. energy: 0.695
local terms energy: -60.346577
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -9.157
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: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -154.415059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.415059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.415059 (E_RNA)
where:
Base-Base interactions energy: -88.847
where: short stacking energy: -49.859
Base-Backbone interact. energy: -0.592
local terms energy: -64.976014
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -82.686290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.686290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.686290 (E_RNA)
where:
Base-Base interactions energy: -33.821
where: short stacking energy: -12.352
Base-Backbone interact. energy: -0.199
local terms energy: -48.665855
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -10.501
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -80.207816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.207816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.207816 (E_RNA)
where:
Base-Base interactions energy: -27.365
where: short stacking energy: -27.365
Base-Backbone interact. energy: -0.221
local terms energy: -52.621868
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -7.595
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: 10, replica: 2
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -74.743885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.743885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.743885 (E_RNA)
where:
Base-Base interactions energy: -21.921
where: short stacking energy: -12.401
Base-Backbone interact. energy: -0.221
local terms energy: -52.602673
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -228.026712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.026712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.026712 (E_RNA)
where:
Base-Base interactions energy: -149.235
where: short stacking energy: -63.265
Base-Backbone interact. energy: -0.108
local terms energy: -78.683389
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -219.138535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.138535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.138535 (E_RNA)
where:
Base-Base interactions energy: -146.228
where: short stacking energy: -69.072
Base-Backbone interact. energy: -0.199
local terms energy: -72.710957
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -217.151259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.151259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.151259 (E_RNA)
where:
Base-Base interactions energy: -144.595
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.912
local terms energy: -71.644505
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -209.634876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.634876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.634876 (E_RNA)
where:
Base-Base interactions energy: -135.616
where: short stacking energy: -59.111
Base-Backbone interact. energy: -0.075
local terms energy: -73.943650
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -18.661
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: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -152.074586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.074586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.074586 (E_RNA)
where:
Base-Base interactions energy: -87.665
where: short stacking energy: -46.889
Base-Backbone interact. energy: 1.443
local terms energy: -65.852328
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -183.273374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.273374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.273374 (E_RNA)
where:
Base-Base interactions energy: -123.473
where: short stacking energy: -51.745
Base-Backbone interact. energy: -0.109
local terms energy: -59.691378
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -151.039619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.039619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.039619 (E_RNA)
where:
Base-Base interactions energy: -95.565
where: short stacking energy: -45.476
Base-Backbone interact. energy: -0.320
local terms energy: -55.154795
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -1.988
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -96.811890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.811890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.811890 (E_RNA)
where:
Base-Base interactions energy: -49.522
where: short stacking energy: -39.154
Base-Backbone interact. energy: -0.882
local terms energy: -46.407905
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -76.016658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.016658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.016658 (E_RNA)
where:
Base-Base interactions energy: -27.827
where: short stacking energy: -27.434
Base-Backbone interact. energy: -0.087
local terms energy: -48.102872
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -82.246970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.246970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.246970 (E_RNA)
where:
Base-Base interactions energy: -32.529
where: short stacking energy: -32.529
Base-Backbone interact. energy: -0.011
local terms energy: -49.707060
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -8.725
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: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -226.021944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.021944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.021944 (E_RNA)
where:
Base-Base interactions energy: -140.974
where: short stacking energy: -65.915
Base-Backbone interact. energy: -1.246
local terms energy: -83.801371
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -220.210263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.210263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.210263 (E_RNA)
where:
Base-Base interactions energy: -149.617
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.056
local terms energy: -70.537521
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -218.089959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.089959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.089959 (E_RNA)
where:
Base-Base interactions energy: -147.372
where: short stacking energy: -73.619
Base-Backbone interact. energy: -0.063
local terms energy: -70.655085
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -210.223305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.223305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.223305 (E_RNA)
where:
Base-Base interactions energy: -139.692
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.812
local terms energy: -69.719997
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -144.455708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.455708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.455708 (E_RNA)
where:
Base-Base interactions energy: -81.798
where: short stacking energy: -49.755
Base-Backbone interact. energy: -0.016
local terms energy: -62.641949
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -13.345
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: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -197.575964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.575964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.575964 (E_RNA)
where:
Base-Base interactions energy: -132.547
where: short stacking energy: -47.086
Base-Backbone interact. energy: -0.423
local terms energy: -64.606144
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -141.319383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.319383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.319383 (E_RNA)
where:
Base-Base interactions energy: -80.081
where: short stacking energy: -45.383
Base-Backbone interact. energy: -0.088
local terms energy: -61.150587
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -94.994811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.994811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.994811 (E_RNA)
where:
Base-Base interactions energy: -35.546
where: short stacking energy: -28.387
Base-Backbone interact. energy: 0.416
local terms energy: -59.865291
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -77.026307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.026307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.026307 (E_RNA)
where:
Base-Base interactions energy: -29.665
where: short stacking energy: -29.665
Base-Backbone interact. energy: -0.008
local terms energy: -47.352553
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -5.705
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: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -72.733124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.733124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.733124 (E_RNA)
where:
Base-Base interactions energy: -34.632
where: short stacking energy: -27.498
Base-Backbone interact. energy: 0.793
local terms energy: -38.893697
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: 0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -223.103561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.103561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.103561 (E_RNA)
where:
Base-Base interactions energy: -149.017
where: short stacking energy: -61.965
Base-Backbone interact. energy: -0.045
local terms energy: -74.040815
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -221.306053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.306053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.306053 (E_RNA)
where:
Base-Base interactions energy: -150.219
where: short stacking energy: -59.371
Base-Backbone interact. energy: -0.039
local terms energy: -71.048878
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -218.610600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.610600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.610600 (E_RNA)
where:
Base-Base interactions energy: -141.979
where: short stacking energy: -67.071
Base-Backbone interact. energy: -0.486
local terms energy: -76.145585
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -20.222
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: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -217.335103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.335103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.335103 (E_RNA)
where:
Base-Base interactions energy: -136.388
where: short stacking energy: -64.136
Base-Backbone interact. energy: 0.020
local terms energy: -80.966791
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -185.545332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.545332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.545332 (E_RNA)
where:
Base-Base interactions energy: -130.025
where: short stacking energy: -48.376
Base-Backbone interact. energy: -0.169
local terms energy: -55.351117
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -6.313
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -12.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -155.177218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.177218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.177218 (E_RNA)
where:
Base-Base interactions energy: -104.349
where: short stacking energy: -42.116
Base-Backbone interact. energy: -0.158
local terms energy: -50.670130
where:
bonds (distance) C4'-P energy: -7.362
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -167.259288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.259288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.259288 (E_RNA)
where:
Base-Base interactions energy: -102.663
where: short stacking energy: -50.711
Base-Backbone interact. energy: -0.117
local terms energy: -64.478943
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -8.711
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -95.613626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.613626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.613626 (E_RNA)
where:
Base-Base interactions energy: -49.210
where: short stacking energy: -30.975
Base-Backbone interact. energy: -0.133
local terms energy: -46.270604
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: 1.042
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -92.267266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.267266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.267266 (E_RNA)
where:
Base-Base interactions energy: -40.709
where: short stacking energy: -40.709
Base-Backbone interact. energy: -0.272
local terms energy: -51.285865
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -5.566
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: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -71.191423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.191423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.191423 (E_RNA)
where:
Base-Base interactions energy: -22.107
where: short stacking energy: -22.107
Base-Backbone interact. energy: -0.131
local terms energy: -48.953821
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -5.664
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: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -226.975790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.975790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.975790 (E_RNA)
where:
Base-Base interactions energy: -146.068
where: short stacking energy: -64.038
Base-Backbone interact. energy: -0.217
local terms energy: -80.690790
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -19.156
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: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -224.860639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.860639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.860639 (E_RNA)
where:
Base-Base interactions energy: -143.903
where: short stacking energy: -65.606
Base-Backbone interact. energy: -0.057
local terms energy: -80.900439
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -22.762
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: 7
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -217.685458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.685458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.685458 (E_RNA)
where:
Base-Base interactions energy: -145.216
where: short stacking energy: -68.142
Base-Backbone interact. energy: 0.087
local terms energy: -72.556116
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -214.953184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.953184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.953184 (E_RNA)
where:
Base-Base interactions energy: -140.137
where: short stacking energy: -62.317
Base-Backbone interact. energy: -0.234
local terms energy: -74.581839
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -199.701568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.701568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.701568 (E_RNA)
where:
Base-Base interactions energy: -138.926
where: short stacking energy: -55.059
Base-Backbone interact. energy: -0.660
local terms energy: -60.115574
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -12.190
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: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -166.043567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.043567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.043567 (E_RNA)
where:
Base-Base interactions energy: -101.323
where: short stacking energy: -61.651
Base-Backbone interact. energy: -0.001
local terms energy: -64.720439
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -137.095391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.095391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.095391 (E_RNA)
where:
Base-Base interactions energy: -91.210
where: short stacking energy: -39.796
Base-Backbone interact. energy: -0.216
local terms energy: -45.669448
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -6.638
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -91.430903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.430903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.430903 (E_RNA)
where:
Base-Base interactions energy: -35.689
where: short stacking energy: -24.442
Base-Backbone interact. energy: -0.195
local terms energy: -55.547703
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -72.101353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.101353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.101353 (E_RNA)
where:
Base-Base interactions energy: -26.863
where: short stacking energy: -22.574
Base-Backbone interact. energy: -0.468
local terms energy: -44.770966
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -83.424798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.424798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.424798 (E_RNA)
where:
Base-Base interactions energy: -34.348
where: short stacking energy: -34.348
Base-Backbone interact. energy: -0.194
local terms energy: -48.883311
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -7.003
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: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -229.135835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.135835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.135835 (E_RNA)
where:
Base-Base interactions energy: -144.669
where: short stacking energy: -68.902
Base-Backbone interact. energy: -0.616
local terms energy: -83.850914
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -216.213530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.213530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.213530 (E_RNA)
where:
Base-Base interactions energy: -141.119
where: short stacking energy: -70.445
Base-Backbone interact. energy: -0.282
local terms energy: -74.813155
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -216.147911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.147911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.147911 (E_RNA)
where:
Base-Base interactions energy: -144.440
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.063
local terms energy: -71.644488
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -18.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -211.514253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.514253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.514253 (E_RNA)
where:
Base-Base interactions energy: -137.792
where: short stacking energy: -63.742
Base-Backbone interact. energy: -0.412
local terms energy: -73.310710
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -17.212
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: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -176.231722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.231722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.231722 (E_RNA)
where:
Base-Base interactions energy: -115.979
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.484
local terms energy: -59.768662
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -9.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -162.171642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.171642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.171642 (E_RNA)
where:
Base-Base interactions energy: -98.204
where: short stacking energy: -55.352
Base-Backbone interact. energy: -0.772
local terms energy: -63.195756
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -13.903
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: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -137.443204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.443204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.443204 (E_RNA)
where:
Base-Base interactions energy: -84.715
where: short stacking energy: -44.800
Base-Backbone interact. energy: -0.858
local terms energy: -51.870394
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -7.712
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -9.087
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: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -102.172191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.172191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.172191 (E_RNA)
where:
Base-Base interactions energy: -51.009
where: short stacking energy: -31.936
Base-Backbone interact. energy: -0.066
local terms energy: -51.097336
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -7.713
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -11.359
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: 188
Temperature: 1.300000
Total energy: -82.563965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.563965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.563965 (E_RNA)
where:
Base-Base interactions energy: -27.773
where: short stacking energy: -26.012
Base-Backbone interact. energy: 1.018
local terms energy: -55.808391
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -84.851091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.851091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.851091 (E_RNA)
where:
Base-Base interactions energy: -44.030
where: short stacking energy: -22.744
Base-Backbone interact. energy: -0.226
local terms energy: -40.595229
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: 0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -229.474169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.474169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.474169 (E_RNA)
where:
Base-Base interactions energy: -151.215
where: short stacking energy: -76.902
Base-Backbone interact. energy: -0.100
local terms energy: -78.159189
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -21.836
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: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -219.868419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.868419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.868419 (E_RNA)
where:
Base-Base interactions energy: -146.157
where: short stacking energy: -67.096
Base-Backbone interact. energy: -0.558
local terms energy: -73.154193
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -206.844732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.844732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.844732 (E_RNA)
where:
Base-Base interactions energy: -139.051
where: short stacking energy: -54.633
Base-Backbone interact. energy: -0.097
local terms energy: -67.696058
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -210.802634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.802634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.802634 (E_RNA)
where:
Base-Base interactions energy: -140.340
where: short stacking energy: -63.952
Base-Backbone interact. energy: -0.531
local terms energy: -69.931693
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -178.396181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.396181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.396181 (E_RNA)
where:
Base-Base interactions energy: -122.401
where: short stacking energy: -59.065
Base-Backbone interact. energy: -0.374
local terms energy: -55.621658
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -146.383411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.383411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.383411 (E_RNA)
where:
Base-Base interactions energy: -92.352
where: short stacking energy: -44.265
Base-Backbone interact. energy: 0.219
local terms energy: -54.249907
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -171.340422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.340422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.340422 (E_RNA)
where:
Base-Base interactions energy: -101.966
where: short stacking energy: -54.067
Base-Backbone interact. energy: -0.000
local terms energy: -69.373929
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -94.543802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.543802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.543802 (E_RNA)
where:
Base-Base interactions energy: -41.728
where: short stacking energy: -30.984
Base-Backbone interact. energy: -0.177
local terms energy: -52.638758
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -1.712
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: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -73.413648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.413648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.413648 (E_RNA)
where:
Base-Base interactions energy: -31.856
where: short stacking energy: -31.856
Base-Backbone interact. energy: -0.012
local terms energy: -41.545501
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -1.830
tors. eta vs tors. theta energy: 2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -78.754396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.754396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.754396 (E_RNA)
where:
Base-Base interactions energy: -25.934
where: short stacking energy: -14.996
Base-Backbone interact. energy: -0.120
local terms energy: -52.700460
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -2.336
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: 190
Temperature: 0.900000
Total energy: -218.719789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.719789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.719789 (E_RNA)
where:
Base-Base interactions energy: -137.924
where: short stacking energy: -71.993
Base-Backbone interact. energy: -0.000
local terms energy: -80.796155
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -221.429959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.429959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.429959 (E_RNA)
where:
Base-Base interactions energy: -141.974
where: short stacking energy: -58.790
Base-Backbone interact. energy: 0.478
local terms energy: -79.934302
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -214.581614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.581614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.581614 (E_RNA)
where:
Base-Base interactions energy: -135.457
where: short stacking energy: -65.830
Base-Backbone interact. energy: -0.048
local terms energy: -79.076789
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -184.349993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.349993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.349993 (E_RNA)
where:
Base-Base interactions energy: -122.376
where: short stacking energy: -57.613
Base-Backbone interact. energy: -0.387
local terms energy: -61.586731
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -197.487765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.487765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.487765 (E_RNA)
where:
Base-Base interactions energy: -134.385
where: short stacking energy: -55.057
Base-Backbone interact. energy: -1.504
local terms energy: -61.598893
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -145.569701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.569701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.569701 (E_RNA)
where:
Base-Base interactions energy: -83.194
where: short stacking energy: -42.041
Base-Backbone interact. energy: -0.526
local terms energy: -61.849992
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -12.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -181.048776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.048776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.048776 (E_RNA)
where:
Base-Base interactions energy: -123.666
where: short stacking energy: -54.155
Base-Backbone interact. energy: 0.270
local terms energy: -57.653247
where:
bonds (distance) C4'-P energy: -2.894
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -87.377356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.377356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.377356 (E_RNA)
where:
Base-Base interactions energy: -40.101
where: short stacking energy: -19.077
Base-Backbone interact. energy: -0.235
local terms energy: -47.041851
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: 1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -78.801111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.801111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.801111 (E_RNA)
where:
Base-Base interactions energy: -36.305
where: short stacking energy: -25.814
Base-Backbone interact. energy: 0.007
local terms energy: -42.503410
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -3.222
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: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -66.577643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.577643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.577643 (E_RNA)
where:
Base-Base interactions energy: -22.489
where: short stacking energy: -17.013
Base-Backbone interact. energy: -0.425
local terms energy: -43.662758
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -226.066589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.066589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.066589 (E_RNA)
where:
Base-Base interactions energy: -154.826
where: short stacking energy: -62.129
Base-Backbone interact. energy: -0.070
local terms energy: -71.170435
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -22.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -221.519515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.519515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.519515 (E_RNA)
where:
Base-Base interactions energy: -142.642
where: short stacking energy: -67.392
Base-Backbone interact. energy: -0.042
local terms energy: -78.836107
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -23.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -210.924430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.924430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.924430 (E_RNA)
where:
Base-Base interactions energy: -133.323
where: short stacking energy: -61.651
Base-Backbone interact. energy: -0.000
local terms energy: -77.601420
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -200.065058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.065058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.065058 (E_RNA)
where:
Base-Base interactions energy: -134.810
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.039
local terms energy: -65.215630
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -177.275203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.275203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.275203 (E_RNA)
where:
Base-Base interactions energy: -112.605
where: short stacking energy: -56.643
Base-Backbone interact. energy: -0.245
local terms energy: -64.425621
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -8.600
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: 191
Temperature: 1.150000
Total energy: -195.734072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.734072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.734072 (E_RNA)
where:
Base-Base interactions energy: -136.043
where: short stacking energy: -60.828
Base-Backbone interact. energy: -0.096
local terms energy: -59.594866
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -10.021
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -13.257
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: 191
Temperature: 1.200000
Total energy: -139.103946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.103946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.103946 (E_RNA)
where:
Base-Base interactions energy: -85.667
where: short stacking energy: -40.245
Base-Backbone interact. energy: -0.136
local terms energy: -53.300970
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -7.127
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -77.659992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.659992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.659992 (E_RNA)
where:
Base-Base interactions energy: -34.336
where: short stacking energy: -17.536
Base-Backbone interact. energy: 0.378
local terms energy: -43.702784
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: 3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -83.320296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.320296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.320296 (E_RNA)
where:
Base-Base interactions energy: -26.922
where: short stacking energy: -18.098
Base-Backbone interact. energy: -0.884
local terms energy: -55.513461
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: 2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -72.554124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.554124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.554124 (E_RNA)
where:
Base-Base interactions energy: -29.076
where: short stacking energy: -25.485
Base-Backbone interact. energy: 4.630
local terms energy: -48.108175
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: 0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -224.188359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.188359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.188359 (E_RNA)
where:
Base-Base interactions energy: -148.834
where: short stacking energy: -68.580
Base-Backbone interact. energy: 0.231
local terms energy: -75.584948
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -218.992627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.992627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.992627 (E_RNA)
where:
Base-Base interactions energy: -140.909
where: short stacking energy: -57.620
Base-Backbone interact. energy: -0.030
local terms energy: -78.053508
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -204.463878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.463878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.463878 (E_RNA)
where:
Base-Base interactions energy: -136.213
where: short stacking energy: -52.929
Base-Backbone interact. energy: -1.159
local terms energy: -67.092148
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -203.428207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.428207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.428207 (E_RNA)
where:
Base-Base interactions energy: -135.077
where: short stacking energy: -57.847
Base-Backbone interact. energy: -0.445
local terms energy: -67.905881
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -202.530771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.530771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.530771 (E_RNA)
where:
Base-Base interactions energy: -132.696
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.746
local terms energy: -69.089025
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -19.832
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: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -196.509471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.509471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.509471 (E_RNA)
where:
Base-Base interactions energy: -124.483
where: short stacking energy: -57.847
Base-Backbone interact. energy: -0.000
local terms energy: -72.026581
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -103.795251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.795251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.795251 (E_RNA)
where:
Base-Base interactions energy: -49.023
where: short stacking energy: -38.709
Base-Backbone interact. energy: -0.058
local terms energy: -54.714430
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -7.070
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: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -118.671469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.671469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.671469 (E_RNA)
where:
Base-Base interactions energy: -71.120
where: short stacking energy: -36.207
Base-Backbone interact. energy: 3.803
local terms energy: -51.354715
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -10.164
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -9.610
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: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -88.960940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.960940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.960940 (E_RNA)
where:
Base-Base interactions energy: -33.531
where: short stacking energy: -31.778
Base-Backbone interact. energy: -0.090
local terms energy: -55.339671
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -6.175
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: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -110.170500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.170500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.170500 (E_RNA)
where:
Base-Base interactions energy: -55.435
where: short stacking energy: -22.903
Base-Backbone interact. energy: -0.938
local terms energy: -53.797295
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -224.981588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.981588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.981588 (E_RNA)
where:
Base-Base interactions energy: -146.315
where: short stacking energy: -66.077
Base-Backbone interact. energy: -0.027
local terms energy: -78.639699
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -226.543648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.543648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.543648 (E_RNA)
where:
Base-Base interactions energy: -146.964
where: short stacking energy: -68.993
Base-Backbone interact. energy: -0.082
local terms energy: -79.497443
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -21.416
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: 193
Temperature: 1.000000
Total energy: -210.689741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.689741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.689741 (E_RNA)
where:
Base-Base interactions energy: -150.545
where: short stacking energy: -54.272
Base-Backbone interact. energy: -0.098
local terms energy: -60.046575
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: -14.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -207.066744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.066744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.066744 (E_RNA)
where:
Base-Base interactions energy: -134.304
where: short stacking energy: -50.103
Base-Backbone interact. energy: 0.054
local terms energy: -72.816910
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -19.686
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: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -203.436910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.436910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.436910 (E_RNA)
where:
Base-Base interactions energy: -134.784
where: short stacking energy: -54.589
Base-Backbone interact. energy: -0.157
local terms energy: -68.495492
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -183.225463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.225463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.225463 (E_RNA)
where:
Base-Base interactions energy: -113.704
where: short stacking energy: -44.814
Base-Backbone interact. energy: -0.170
local terms energy: -69.352114
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -10.060
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: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -98.928671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.928671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.928671 (E_RNA)
where:
Base-Base interactions energy: -42.170
where: short stacking energy: -42.170
Base-Backbone interact. energy: -0.082
local terms energy: -56.676398
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -7.399
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: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -163.857701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.857701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.857701 (E_RNA)
where:
Base-Base interactions energy: -111.125
where: short stacking energy: -44.886
Base-Backbone interact. energy: -0.333
local terms energy: -52.399247
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -80.381610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.381610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.381610 (E_RNA)
where:
Base-Base interactions energy: -34.378
where: short stacking energy: -26.804
Base-Backbone interact. energy: 0.870
local terms energy: -46.873897
where:
bonds (distance) C4'-P energy: -8.452
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -81.455087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.455087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.455087 (E_RNA)
where:
Base-Base interactions energy: -36.552
where: short stacking energy: -25.379
Base-Backbone interact. energy: -0.082
local terms energy: -44.821716
where:
bonds (distance) C4'-P energy: -7.690
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -225.943360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.943360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.943360 (E_RNA)
where:
Base-Base interactions energy: -152.597
where: short stacking energy: -65.433
Base-Backbone interact. energy: -0.009
local terms energy: -73.337280
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -222.263783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.263783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.263783 (E_RNA)
where:
Base-Base interactions energy: -143.067
where: short stacking energy: -69.043
Base-Backbone interact. energy: 0.732
local terms energy: -79.928950
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -211.577697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.577697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.577697 (E_RNA)
where:
Base-Base interactions energy: -137.144
where: short stacking energy: -53.899
Base-Backbone interact. energy: -0.099
local terms energy: -74.333943
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -206.280908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.280908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.280908 (E_RNA)
where:
Base-Base interactions energy: -141.920
where: short stacking energy: -64.655
Base-Backbone interact. energy: -0.072
local terms energy: -64.288751
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -168.767896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.767896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.767896 (E_RNA)
where:
Base-Base interactions energy: -107.479
where: short stacking energy: -44.801
Base-Backbone interact. energy: -0.273
local terms energy: -61.016219
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -10.643
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: 6, replica: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -198.565582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.565582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.565582 (E_RNA)
where:
Base-Base interactions energy: -124.250
where: short stacking energy: -55.837
Base-Backbone interact. energy: -0.596
local terms energy: -73.719788
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -20.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -149.012888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.012888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.012888 (E_RNA)
where:
Base-Base interactions energy: -87.091
where: short stacking energy: -47.183
Base-Backbone interact. energy: 0.700
local terms energy: -62.622236
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -9.821
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: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -80.261984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.261984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.261984 (E_RNA)
where:
Base-Base interactions energy: -26.080
where: short stacking energy: -26.080
Base-Backbone interact. energy: -0.196
local terms energy: -53.985644
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -87.275079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.275079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.275079 (E_RNA)
where:
Base-Base interactions energy: -32.050
where: short stacking energy: -28.552
Base-Backbone interact. energy: 0.260
local terms energy: -55.485342
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -12.106
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: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -83.072537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.072537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.072537 (E_RNA)
where:
Base-Base interactions energy: -38.966
where: short stacking energy: -19.662
Base-Backbone interact. energy: -0.252
local terms energy: -43.855080
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -7.390
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: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -224.848971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.848971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.848971 (E_RNA)
where:
Base-Base interactions energy: -146.927
where: short stacking energy: -58.033
Base-Backbone interact. energy: -0.173
local terms energy: -77.749151
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -216.595545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.595545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.595545 (E_RNA)
where:
Base-Base interactions energy: -141.677
where: short stacking energy: -66.069
Base-Backbone interact. energy: -0.269
local terms energy: -74.649315
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -20.069
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: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -218.132343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.132343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.132343 (E_RNA)
where:
Base-Base interactions energy: -142.576
where: short stacking energy: -60.466
Base-Backbone interact. energy: -0.007
local terms energy: -75.549521
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -20.939
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: 195
Temperature: 1.050000
Total energy: -177.414175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.414175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.414175 (E_RNA)
where:
Base-Base interactions energy: -108.212
where: short stacking energy: -53.901
Base-Backbone interact. energy: -0.904
local terms energy: -68.298070
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -186.749266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.749266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.749266 (E_RNA)
where:
Base-Base interactions energy: -123.694
where: short stacking energy: -48.028
Base-Backbone interact. energy: -0.196
local terms energy: -62.858794
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -191.986653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.986653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.986653 (E_RNA)
where:
Base-Base interactions energy: -130.756
where: short stacking energy: -65.959
Base-Backbone interact. energy: -0.117
local terms energy: -61.113817
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -14.157
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: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -168.334893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.334893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.334893 (E_RNA)
where:
Base-Base interactions energy: -104.495
where: short stacking energy: -45.581
Base-Backbone interact. energy: -0.398
local terms energy: -63.442345
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -11.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -78.174330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.174330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.174330 (E_RNA)
where:
Base-Base interactions energy: -24.774
where: short stacking energy: -21.129
Base-Backbone interact. energy: -0.548
local terms energy: -52.851655
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -9.909
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: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -87.737592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.737592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.737592 (E_RNA)
where:
Base-Base interactions energy: -29.458
where: short stacking energy: -29.458
Base-Backbone interact. energy: -0.108
local terms energy: -58.171384
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -84.568317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.568317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.568317 (E_RNA)
where:
Base-Base interactions energy: -30.781
where: short stacking energy: -28.963
Base-Backbone interact. energy: -0.186
local terms energy: -53.600626
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -6.012
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: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -223.395100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.395100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.395100 (E_RNA)
where:
Base-Base interactions energy: -142.630
where: short stacking energy: -69.180
Base-Backbone interact. energy: -0.155
local terms energy: -80.609922
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -22.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -223.343740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.343740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.343740 (E_RNA)
where:
Base-Base interactions energy: -149.695
where: short stacking energy: -61.856
Base-Backbone interact. energy: -0.089
local terms energy: -73.560324
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -215.613966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.613966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.613966 (E_RNA)
where:
Base-Base interactions energy: -147.143
where: short stacking energy: -58.682
Base-Backbone interact. energy: 0.367
local terms energy: -68.838365
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -17.535
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: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -180.859310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.859310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.859310 (E_RNA)
where:
Base-Base interactions energy: -111.327
where: short stacking energy: -53.839
Base-Backbone interact. energy: -0.733
local terms energy: -68.799976
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -185.314327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.314327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.314327 (E_RNA)
where:
Base-Base interactions energy: -117.665
where: short stacking energy: -48.763
Base-Backbone interact. energy: 0.293
local terms energy: -67.941754
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -15.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -180.355816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.355816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.355816 (E_RNA)
where:
Base-Base interactions energy: -121.880
where: short stacking energy: -48.724
Base-Backbone interact. energy: -0.071
local terms energy: -58.404714
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -141.653332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.653332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.653332 (E_RNA)
where:
Base-Base interactions energy: -86.143
where: short stacking energy: -34.988
Base-Backbone interact. energy: -0.144
local terms energy: -55.365683
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -94.308202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.308202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.308202 (E_RNA)
where:
Base-Base interactions energy: -48.772
where: short stacking energy: -20.685
Base-Backbone interact. energy: -0.022
local terms energy: -45.514226
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -3.734
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: 196
Temperature: 1.300000
Total energy: -78.247893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.247893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.247893 (E_RNA)
where:
Base-Base interactions energy: -35.203
where: short stacking energy: -30.559
Base-Backbone interact. energy: -0.969
local terms energy: -42.075788
where:
bonds (distance) C4'-P energy: -6.228
bonds (distance) P-C4' energy: -9.782
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -7.642
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: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -94.373671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.373671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.373671 (E_RNA)
where:
Base-Base interactions energy: -39.284
where: short stacking energy: -33.748
Base-Backbone interact. energy: -0.170
local terms energy: -54.919691
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -12.276
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: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -219.604412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.604412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.604412 (E_RNA)
where:
Base-Base interactions energy: -139.529
where: short stacking energy: -66.957
Base-Backbone interact. energy: -1.132
local terms energy: -78.943966
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -215.562992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.562992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.562992 (E_RNA)
where:
Base-Base interactions energy: -139.595
where: short stacking energy: -64.523
Base-Backbone interact. energy: -0.186
local terms energy: -75.781515
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -218.419203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.419203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.419203 (E_RNA)
where:
Base-Base interactions energy: -140.656
where: short stacking energy: -59.599
Base-Backbone interact. energy: -0.060
local terms energy: -77.703604
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -184.550912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.550912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.550912 (E_RNA)
where:
Base-Base interactions energy: -108.167
where: short stacking energy: -43.594
Base-Backbone interact. energy: -0.734
local terms energy: -75.650252
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -16.438
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: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -178.004555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.004555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.004555 (E_RNA)
where:
Base-Base interactions energy: -118.608
where: short stacking energy: -53.992
Base-Backbone interact. energy: -0.638
local terms energy: -58.758707
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -186.875229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.875229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.875229 (E_RNA)
where:
Base-Base interactions energy: -124.876
where: short stacking energy: -48.635
Base-Backbone interact. energy: -0.032
local terms energy: -61.966888
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -13.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -135.763076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.763076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.763076 (E_RNA)
where:
Base-Base interactions energy: -75.487
where: short stacking energy: -29.744
Base-Backbone interact. energy: -0.026
local terms energy: -60.249927
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -11.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -86.460167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.460167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.460167 (E_RNA)
where:
Base-Base interactions energy: -33.614
where: short stacking energy: -30.572
Base-Backbone interact. energy: -0.242
local terms energy: -52.603467
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -82.382024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.382024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.382024 (E_RNA)
where:
Base-Base interactions energy: -27.757
where: short stacking energy: -26.008
Base-Backbone interact. energy: -0.167
local terms energy: -54.457915
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -9.090
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: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -72.731390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.731390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.731390 (E_RNA)
where:
Base-Base interactions energy: -23.071
where: short stacking energy: -20.989
Base-Backbone interact. energy: -0.064
local terms energy: -49.596231
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -219.470619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.470619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.470619 (E_RNA)
where:
Base-Base interactions energy: -146.835
where: short stacking energy: -56.727
Base-Backbone interact. energy: -0.118
local terms energy: -72.517576
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -19.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -213.632618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.632618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.632618 (E_RNA)
where:
Base-Base interactions energy: -144.455
where: short stacking energy: -64.763
Base-Backbone interact. energy: -0.039
local terms energy: -69.139544
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -18.438
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: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -212.104441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.104441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.104441 (E_RNA)
where:
Base-Base interactions energy: -138.802
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.142
local terms energy: -73.159894
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -210.081820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.081820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.081820 (E_RNA)
where:
Base-Base interactions energy: -141.420
where: short stacking energy: -61.358
Base-Backbone interact. energy: -0.152
local terms energy: -68.509702
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -189.058711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.058711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.058711 (E_RNA)
where:
Base-Base interactions energy: -134.317
where: short stacking energy: -50.110
Base-Backbone interact. energy: -0.167
local terms energy: -54.574849
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -7.005
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -11.152
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: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -144.756112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.756112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.756112 (E_RNA)
where:
Base-Base interactions energy: -83.103
where: short stacking energy: -43.491
Base-Backbone interact. energy: -0.150
local terms energy: -61.502471
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -7.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -135.506623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.506623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.506623 (E_RNA)
where:
Base-Base interactions energy: -80.204
where: short stacking energy: -29.365
Base-Backbone interact. energy: -0.040
local terms energy: -55.263282
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -7.851
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -10.362
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: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -102.248245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.248245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.248245 (E_RNA)
where:
Base-Base interactions energy: -45.566
where: short stacking energy: -42.927
Base-Backbone interact. energy: -0.202
local terms energy: -56.480269
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -13.046
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: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -97.216175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.216175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.216175 (E_RNA)
where:
Base-Base interactions energy: -40.200
where: short stacking energy: -40.200
Base-Backbone interact. energy: 0.186
local terms energy: -57.202138
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -11.098
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: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -80.496407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.496407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.496407 (E_RNA)
where:
Base-Base interactions energy: -29.095
where: short stacking energy: -20.828
Base-Backbone interact. energy: 0.273
local terms energy: -51.673685
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -8.683
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: 199
Temperature: 0.900000
Total energy: -219.526376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.526376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.526376 (E_RNA)
where:
Base-Base interactions energy: -153.991
where: short stacking energy: -54.168
Base-Backbone interact. energy: -0.071
local terms energy: -65.465115
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -18.136
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: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -212.350817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.350817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.350817 (E_RNA)
where:
Base-Base interactions energy: -135.205
where: short stacking energy: -65.250
Base-Backbone interact. energy: -0.742
local terms energy: -76.404155
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -215.733878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.733878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.733878 (E_RNA)
where:
Base-Base interactions energy: -142.675
where: short stacking energy: -55.142
Base-Backbone interact. energy: 0.911
local terms energy: -73.969489
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -20.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -186.909194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.909194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.909194 (E_RNA)
where:
Base-Base interactions energy: -133.319
where: short stacking energy: -54.184
Base-Backbone interact. energy: -0.011
local terms energy: -53.579185
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -8.221
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -12.526
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: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -201.037217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.037217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.037217 (E_RNA)
where:
Base-Base interactions energy: -138.277
where: short stacking energy: -53.857
Base-Backbone interact. energy: -0.756
local terms energy: -62.004263
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -165.969609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.969609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.969609 (E_RNA)
where:
Base-Base interactions energy: -97.618
where: short stacking energy: -46.026
Base-Backbone interact. energy: 1.066
local terms energy: -69.417253
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -146.725404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.725404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.725404 (E_RNA)
where:
Base-Base interactions energy: -81.253
where: short stacking energy: -47.496
Base-Backbone interact. energy: -0.047
local terms energy: -65.425521
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -84.375372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.375372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.375372 (E_RNA)
where:
Base-Base interactions energy: -35.429
where: short stacking energy: -30.540
Base-Backbone interact. energy: -0.125
local terms energy: -48.821393
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -6.184
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: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -78.912541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.912541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.912541 (E_RNA)
where:
Base-Base interactions energy: -27.221
where: short stacking energy: -27.221
Base-Backbone interact. energy: -0.087
local terms energy: -51.604862
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: 0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -67.709236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.709236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.709236 (E_RNA)
where:
Base-Base interactions energy: -22.804
where: short stacking energy: -22.804
Base-Backbone interact. energy: -0.232
local terms energy: -44.672349
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: 3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -227.910764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.910764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.910764 (E_RNA)
where:
Base-Base interactions energy: -154.719
where: short stacking energy: -55.740
Base-Backbone interact. energy: -0.476
local terms energy: -72.715947
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -211.478930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.478930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.478930 (E_RNA)
where:
Base-Base interactions energy: -142.907
where: short stacking energy: -54.741
Base-Backbone interact. energy: -0.942
local terms energy: -67.630324
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -212.357695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.357695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.357695 (E_RNA)
where:
Base-Base interactions energy: -144.686
where: short stacking energy: -57.153
Base-Backbone interact. energy: 0.076
local terms energy: -67.747548
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -193.557623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.557623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.557623 (E_RNA)
where:
Base-Base interactions energy: -122.712
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.387
local terms energy: -70.459172
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -199.859605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.859605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.859605 (E_RNA)
where:
Base-Base interactions energy: -132.987
where: short stacking energy: -47.756
Base-Backbone interact. energy: -0.838
local terms energy: -66.034689
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -13.962
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: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -140.617435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.617435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.617435 (E_RNA)
where:
Base-Base interactions energy: -78.873
where: short stacking energy: -36.344
Base-Backbone interact. energy: -0.245
local terms energy: -61.499198
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -10.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -151.161491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.161491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.161491 (E_RNA)
where:
Base-Base interactions energy: -87.864
where: short stacking energy: -54.321
Base-Backbone interact. energy: -0.857
local terms energy: -62.440697
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -85.444786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.444786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.444786 (E_RNA)
where:
Base-Base interactions energy: -34.036
where: short stacking energy: -34.036
Base-Backbone interact. energy: -0.035
local terms energy: -51.373639
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -9.046
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: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -78.523775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.523775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.523775 (E_RNA)
where:
Base-Base interactions energy: -29.090
where: short stacking energy: -25.776
Base-Backbone interact. energy: -0.274
local terms energy: -49.158911
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -70.794666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.794666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.794666 (E_RNA)
where:
Base-Base interactions energy: -26.860
where: short stacking energy: -22.609
Base-Backbone interact. energy: -0.378
local terms energy: -43.557311
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: 1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -232.196998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.196998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.196998 (E_RNA)
where:
Base-Base interactions energy: -153.250
where: short stacking energy: -67.665
Base-Backbone interact. energy: -1.058
local terms energy: -77.889294
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -19.546
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: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -217.656598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.656598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.656598 (E_RNA)
where:
Base-Base interactions energy: -145.224
where: short stacking energy: -61.369
Base-Backbone interact. energy: -0.110
local terms energy: -72.322149
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -208.334330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.334330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.334330 (E_RNA)
where:
Base-Base interactions energy: -138.736
where: short stacking energy: -59.663
Base-Backbone interact. energy: -0.074
local terms energy: -69.524542
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -196.555480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.555480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.555480 (E_RNA)
where:
Base-Base interactions energy: -137.160
where: short stacking energy: -51.676
Base-Backbone interact. energy: -0.664
local terms energy: -58.730795
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -187.193705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.193705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.193705 (E_RNA)
where:
Base-Base interactions energy: -120.276
where: short stacking energy: -48.845
Base-Backbone interact. energy: -0.966
local terms energy: -65.951753
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -9.217
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: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -188.335059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.335059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.335059 (E_RNA)
where:
Base-Base interactions energy: -121.696
where: short stacking energy: -47.336
Base-Backbone interact. energy: -0.651
local terms energy: -65.987947
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -13.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -133.118973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.118973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.118973 (E_RNA)
where:
Base-Base interactions energy: -77.973
where: short stacking energy: -39.195
Base-Backbone interact. energy: 0.442
local terms energy: -55.588225
where:
bonds (distance) C4'-P energy: -5.632
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -9.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -92.751979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.751979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.751979 (E_RNA)
where:
Base-Base interactions energy: -37.056
where: short stacking energy: -31.940
Base-Backbone interact. energy: -0.104
local terms energy: -55.592356
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -5.436
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: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -74.799287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.799287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.799287 (E_RNA)
where:
Base-Base interactions energy: -27.528
where: short stacking energy: -27.728
Base-Backbone interact. energy: 0.254
local terms energy: -47.524940
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -4.780
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: 10, replica: 2
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -75.322108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.322108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.322108 (E_RNA)
where:
Base-Base interactions energy: -21.991
where: short stacking energy: -20.635
Base-Backbone interact. energy: -0.363
local terms energy: -52.968629
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -220.116169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.116169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.116169 (E_RNA)
where:
Base-Base interactions energy: -145.574
where: short stacking energy: -61.886
Base-Backbone interact. energy: -1.195
local terms energy: -73.347862
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -221.102965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.102965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.102965 (E_RNA)
where:
Base-Base interactions energy: -150.564
where: short stacking energy: -63.789
Base-Backbone interact. energy: -0.042
local terms energy: -70.497401
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -202.212284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.212284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.212284 (E_RNA)
where:
Base-Base interactions energy: -130.700
where: short stacking energy: -61.289
Base-Backbone interact. energy: -0.083
local terms energy: -71.429103
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -194.655125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.655125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.655125 (E_RNA)
where:
Base-Base interactions energy: -134.420
where: short stacking energy: -52.796
Base-Backbone interact. energy: -0.342
local terms energy: -59.893117
where:
bonds (distance) C4'-P energy: -8.032
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -16.452
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: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -207.821327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.821327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.821327 (E_RNA)
where:
Base-Base interactions energy: -149.954
where: short stacking energy: -56.709
Base-Backbone interact. energy: -0.554
local terms energy: -57.313935
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -16.175
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: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -193.587113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.587113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.587113 (E_RNA)
where:
Base-Base interactions energy: -125.401
where: short stacking energy: -47.424
Base-Backbone interact. energy: -0.466
local terms energy: -67.719756
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -16.948
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: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -111.057178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.057178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.057178 (E_RNA)
where:
Base-Base interactions energy: -58.991
where: short stacking energy: -37.025
Base-Backbone interact. energy: -0.114
local terms energy: -51.952653
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -84.597252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.597252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.597252 (E_RNA)
where:
Base-Base interactions energy: -39.619
where: short stacking energy: -29.938
Base-Backbone interact. energy: 0.016
local terms energy: -44.993490
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -9.742
flat angles C4'-P-C4' energy: -7.825
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -86.531818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.531818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.531818 (E_RNA)
where:
Base-Base interactions energy: -47.493
where: short stacking energy: -36.893
Base-Backbone interact. energy: -0.235
local terms energy: -38.803752
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -7.389
flat angles C4'-P-C4' energy: -7.538
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -9.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -86.660853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.660853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.660853 (E_RNA)
where:
Base-Base interactions energy: -43.749
where: short stacking energy: -41.351
Base-Backbone interact. energy: -0.128
local terms energy: -42.784221
where:
bonds (distance) C4'-P energy: -7.306
bonds (distance) P-C4' energy: -6.165
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -219.008375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.008375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.008375 (E_RNA)
where:
Base-Base interactions energy: -142.869
where: short stacking energy: -57.417
Base-Backbone interact. energy: -0.049
local terms energy: -76.090566
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -19.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -216.229599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.229599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.229599 (E_RNA)
where:
Base-Base interactions energy: -146.232
where: short stacking energy: -54.936
Base-Backbone interact. energy: -0.151
local terms energy: -69.845644
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -209.232905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.232905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.232905 (E_RNA)
where:
Base-Base interactions energy: -135.349
where: short stacking energy: -61.178
Base-Backbone interact. energy: -0.089
local terms energy: -73.795122
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -20.724
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: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -199.732198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.732198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.732198 (E_RNA)
where:
Base-Base interactions energy: -130.940
where: short stacking energy: -63.935
Base-Backbone interact. energy: -0.162
local terms energy: -68.630197
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -20.245
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: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -189.412307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.412307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.412307 (E_RNA)
where:
Base-Base interactions energy: -123.941
where: short stacking energy: -52.756
Base-Backbone interact. energy: -0.002
local terms energy: -65.469331
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -192.619787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.619787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.619787 (E_RNA)
where:
Base-Base interactions energy: -129.285
where: short stacking energy: -60.517
Base-Backbone interact. energy: -1.906
local terms energy: -61.429275
where:
bonds (distance) C4'-P energy: -6.650
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -122.669574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.669574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.669574 (E_RNA)
where:
Base-Base interactions energy: -61.837
where: short stacking energy: -34.998
Base-Backbone interact. energy: 0.226
local terms energy: -61.058416
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -78.963792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.963792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.963792 (E_RNA)
where:
Base-Base interactions energy: -38.861
where: short stacking energy: -29.318
Base-Backbone interact. energy: -0.250
local terms energy: -39.853256
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -6.330
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -87.633452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.633452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.633452 (E_RNA)
where:
Base-Base interactions energy: -32.248
where: short stacking energy: -27.332
Base-Backbone interact. energy: 0.724
local terms energy: -56.109251
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -85.002415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.002415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.002415 (E_RNA)
where:
Base-Base interactions energy: -33.593
where: short stacking energy: -31.555
Base-Backbone interact. energy: -0.152
local terms energy: -51.257425
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -9.984
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: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -210.123353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.123353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.123353 (E_RNA)
where:
Base-Base interactions energy: -139.695
where: short stacking energy: -53.310
Base-Backbone interact. energy: -0.490
local terms energy: -69.938310
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -12.986
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: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -222.837602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.837602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.837602 (E_RNA)
where:
Base-Base interactions energy: -145.391
where: short stacking energy: -62.132
Base-Backbone interact. energy: -0.206
local terms energy: -77.240312
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -226.739522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.739522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.739522 (E_RNA)
where:
Base-Base interactions energy: -156.387
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.031
local terms energy: -70.321477
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -207.195224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.195224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.195224 (E_RNA)
where:
Base-Base interactions energy: -133.573
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.361
local terms energy: -73.261234
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -187.792132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.792132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.792132 (E_RNA)
where:
Base-Base interactions energy: -127.414
where: short stacking energy: -53.930
Base-Backbone interact. energy: -0.112
local terms energy: -60.266240
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -196.844249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.844249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.844249 (E_RNA)
where:
Base-Base interactions energy: -130.745
where: short stacking energy: -49.481
Base-Backbone interact. energy: -0.044
local terms energy: -66.055246
where:
bonds (distance) C4'-P energy: -5.059
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -103.940347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.940347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.940347 (E_RNA)
where:
Base-Base interactions energy: -46.115
where: short stacking energy: -39.765
Base-Backbone interact. energy: -0.282
local terms energy: -57.543068
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -8.359
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: 8, replica: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -83.065958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.065958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.065958 (E_RNA)
where:
Base-Base interactions energy: -36.064
where: short stacking energy: -10.516
Base-Backbone interact. energy: -0.177
local terms energy: -46.825730
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -82.983888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.983888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.983888 (E_RNA)
where:
Base-Base interactions energy: -34.975
where: short stacking energy: -24.963
Base-Backbone interact. energy: -0.284
local terms energy: -47.725421
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: 1.487
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: 204
Temperature: 1.350000
Total energy: -71.170957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.170957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.170957 (E_RNA)
where:
Base-Base interactions energy: -27.367
where: short stacking energy: -23.019
Base-Backbone interact. energy: -0.342
local terms energy: -43.461504
where:
bonds (distance) C4'-P energy: -7.878
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -215.567009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.567009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.567009 (E_RNA)
where:
Base-Base interactions energy: -138.665
where: short stacking energy: -57.917
Base-Backbone interact. energy: -0.844
local terms energy: -76.058336
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -17.004
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: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -219.111923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.111923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.111923 (E_RNA)
where:
Base-Base interactions energy: -139.008
where: short stacking energy: -66.482
Base-Backbone interact. energy: -0.620
local terms energy: -79.483675
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -209.031546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.031546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.031546 (E_RNA)
where:
Base-Base interactions energy: -135.113
where: short stacking energy: -62.368
Base-Backbone interact. energy: -0.041
local terms energy: -73.877561
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -203.741591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.741591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.741591 (E_RNA)
where:
Base-Base interactions energy: -135.517
where: short stacking energy: -54.570
Base-Backbone interact. energy: -0.298
local terms energy: -67.926880
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -208.047071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.047071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.047071 (E_RNA)
where:
Base-Base interactions energy: -146.702
where: short stacking energy: -59.486
Base-Backbone interact. energy: -0.006
local terms energy: -61.338871
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -12.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -176.389707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.389707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.389707 (E_RNA)
where:
Base-Base interactions energy: -115.373
where: short stacking energy: -52.088
Base-Backbone interact. energy: -0.721
local terms energy: -60.295296
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -10.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -102.321902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.321902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.321902 (E_RNA)
where:
Base-Base interactions energy: -41.972
where: short stacking energy: -35.464
Base-Backbone interact. energy: -0.255
local terms energy: -60.094413
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -82.477859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.477859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.477859 (E_RNA)
where:
Base-Base interactions energy: -40.804
where: short stacking energy: -36.345
Base-Backbone interact. energy: -0.273
local terms energy: -41.401163
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -6.691
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -85.227479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.227479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.227479 (E_RNA)
where:
Base-Base interactions energy: -34.248
where: short stacking energy: -32.409
Base-Backbone interact. energy: 0.066
local terms energy: -51.045170
where:
bonds (distance) C4'-P energy: -8.299
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -74.450238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.450238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.450238 (E_RNA)
where:
Base-Base interactions energy: -27.154
where: short stacking energy: -23.856
Base-Backbone interact. energy: -0.411
local terms energy: -46.884852
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -0.382
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: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -215.500276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.500276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.500276 (E_RNA)
where:
Base-Base interactions energy: -141.201
where: short stacking energy: -65.481
Base-Backbone interact. energy: -0.054
local terms energy: -74.245870
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -213.514217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.514217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.514217 (E_RNA)
where:
Base-Base interactions energy: -141.211
where: short stacking energy: -52.602
Base-Backbone interact. energy: 0.168
local terms energy: -72.471564
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -12.097
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: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -218.076499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.076499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.076499 (E_RNA)
where:
Base-Base interactions energy: -148.310
where: short stacking energy: -62.226
Base-Backbone interact. energy: -0.026
local terms energy: -69.741278
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -208.169191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.169191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.169191 (E_RNA)
where:
Base-Base interactions energy: -137.363
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.599
local terms energy: -70.207440
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -192.051191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.051191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.051191 (E_RNA)
where:
Base-Base interactions energy: -129.344
where: short stacking energy: -54.962
Base-Backbone interact. energy: -0.178
local terms energy: -62.529413
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -12.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -163.485865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.485865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.485865 (E_RNA)
where:
Base-Base interactions energy: -100.883
where: short stacking energy: -54.003
Base-Backbone interact. energy: 0.446
local terms energy: -63.048707
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -11.425
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: 206
Temperature: 1.200000
Total energy: -105.389601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.389601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.389601 (E_RNA)
where:
Base-Base interactions energy: -47.389
where: short stacking energy: -40.677
Base-Backbone interact. energy: -0.162
local terms energy: -57.838811
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -5.834
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: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -75.477207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.477207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.477207 (E_RNA)
where:
Base-Base interactions energy: -35.284
where: short stacking energy: -20.567
Base-Backbone interact. energy: -0.215
local terms energy: -39.977935
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -5.028
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: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -75.007571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.007571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.007571 (E_RNA)
where:
Base-Base interactions energy: -22.417
where: short stacking energy: -22.374
Base-Backbone interact. energy: -0.019
local terms energy: -52.571766
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -2.384
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: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -76.282906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.282906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.282906 (E_RNA)
where:
Base-Base interactions energy: -28.695
where: short stacking energy: -23.632
Base-Backbone interact. energy: -0.015
local terms energy: -47.572487
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -8.555
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -218.410398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.410398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.410398 (E_RNA)
where:
Base-Base interactions energy: -135.442
where: short stacking energy: -59.969
Base-Backbone interact. energy: -2.543
local terms energy: -80.425230
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -201.723540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.723540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.723540 (E_RNA)
where:
Base-Base interactions energy: -133.994
where: short stacking energy: -58.341
Base-Backbone interact. energy: -1.126
local terms energy: -66.603241
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -19.747
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: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -208.100701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.100701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.100701 (E_RNA)
where:
Base-Base interactions energy: -142.047
where: short stacking energy: -57.304
Base-Backbone interact. energy: -0.103
local terms energy: -65.951317
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -216.536615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.536615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.536615 (E_RNA)
where:
Base-Base interactions energy: -144.910
where: short stacking energy: -64.072
Base-Backbone interact. energy: -0.013
local terms energy: -71.613123
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -196.463131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.463131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.463131 (E_RNA)
where:
Base-Base interactions energy: -126.365
where: short stacking energy: -53.721
Base-Backbone interact. energy: -0.912
local terms energy: -69.186142
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -12.930
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: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -158.577802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.577802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.577802 (E_RNA)
where:
Base-Base interactions energy: -98.319
where: short stacking energy: -45.378
Base-Backbone interact. energy: -0.187
local terms energy: -60.071661
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -5.904
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: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -90.579235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.579235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.579235 (E_RNA)
where:
Base-Base interactions energy: -33.066
where: short stacking energy: -33.066
Base-Backbone interact. energy: -0.112
local terms energy: -57.401042
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -8.577
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -90.386639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386639 (E_RNA)
where:
Base-Base interactions energy: -32.704
where: short stacking energy: -32.704
Base-Backbone interact. energy: -0.343
local terms energy: -57.339388
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -13.299
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: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -88.352270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.352270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.352270 (E_RNA)
where:
Base-Base interactions energy: -37.112
where: short stacking energy: -37.112
Base-Backbone interact. energy: -0.010
local terms energy: -51.230608
where:
bonds (distance) C4'-P energy: -7.172
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -7.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -69.231633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.231633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.231633 (E_RNA)
where:
Base-Base interactions energy: -24.305
where: short stacking energy: -17.211
Base-Backbone interact. energy: -1.043
local terms energy: -43.883457
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -9.594
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: 1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -197.997164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.997164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.997164 (E_RNA)
where:
Base-Base interactions energy: -126.202
where: short stacking energy: -51.782
Base-Backbone interact. energy: -1.278
local terms energy: -70.516394
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -225.435271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.435271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.435271 (E_RNA)
where:
Base-Base interactions energy: -151.729
where: short stacking energy: -61.436
Base-Backbone interact. energy: -0.226
local terms energy: -73.480667
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -202.199505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.199505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.199505 (E_RNA)
where:
Base-Base interactions energy: -129.184
where: short stacking energy: -57.432
Base-Backbone interact. energy: -0.615
local terms energy: -72.401173
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -207.562491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.562491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.562491 (E_RNA)
where:
Base-Base interactions energy: -135.273
where: short stacking energy: -55.041
Base-Backbone interact. energy: -0.270
local terms energy: -72.019843
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -199.761949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.761949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.761949 (E_RNA)
where:
Base-Base interactions energy: -132.541
where: short stacking energy: -64.159
Base-Backbone interact. energy: -0.544
local terms energy: -66.677696
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -168.788615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.788615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.788615 (E_RNA)
where:
Base-Base interactions energy: -105.039
where: short stacking energy: -49.692
Base-Backbone interact. energy: -0.092
local terms energy: -63.657935
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -12.300
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: 208
Temperature: 1.200000
Total energy: -84.102200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.102200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.102200 (E_RNA)
where:
Base-Base interactions energy: -33.321
where: short stacking energy: -32.298
Base-Backbone interact. energy: -0.247
local terms energy: -50.534663
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -84.141409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.141409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.141409 (E_RNA)
where:
Base-Base interactions energy: -34.411
where: short stacking energy: -22.488
Base-Backbone interact. energy: -0.049
local terms energy: -49.681124
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -4.995
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -87.901232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.901232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.901232 (E_RNA)
where:
Base-Base interactions energy: -49.425
where: short stacking energy: -24.098
Base-Backbone interact. energy: -0.234
local terms energy: -38.242105
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -0.025
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: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -81.760407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.760407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.760407 (E_RNA)
where:
Base-Base interactions energy: -29.624
where: short stacking energy: -25.088
Base-Backbone interact. energy: -0.087
local terms energy: -52.049489
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -212.445216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.445216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.445216 (E_RNA)
where:
Base-Base interactions energy: -142.608
where: short stacking energy: -53.004
Base-Backbone interact. energy: -0.345
local terms energy: -69.492508
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -219.851839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.851839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.851839 (E_RNA)
where:
Base-Base interactions energy: -143.150
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.098
local terms energy: -76.603993
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -19.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -222.358608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.358608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.358608 (E_RNA)
where:
Base-Base interactions energy: -144.920
where: short stacking energy: -59.927
Base-Backbone interact. energy: -0.057
local terms energy: -77.381204
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -19.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -203.649061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.649061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.649061 (E_RNA)
where:
Base-Base interactions energy: -127.366
where: short stacking energy: -51.140
Base-Backbone interact. energy: 0.332
local terms energy: -76.614576
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -199.624848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.624848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.624848 (E_RNA)
where:
Base-Base interactions energy: -127.064
where: short stacking energy: -58.880
Base-Backbone interact. energy: -0.678
local terms energy: -71.882998
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -13.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -159.625293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.625293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.625293 (E_RNA)
where:
Base-Base interactions energy: -98.158
where: short stacking energy: -46.402
Base-Backbone interact. energy: -1.187
local terms energy: -60.279315
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -11.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -99.913430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.913430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.913430 (E_RNA)
where:
Base-Base interactions energy: -56.056
where: short stacking energy: -47.586
Base-Backbone interact. energy: -0.029
local terms energy: -43.827711
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: 0.478
tors. eta vs tors. theta energy: -6.957
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: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -92.312240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.312240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.312240 (E_RNA)
where:
Base-Base interactions energy: -36.391
where: short stacking energy: -36.107
Base-Backbone interact. energy: -0.010
local terms energy: -55.910726
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -7.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -82.527835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.527835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.527835 (E_RNA)
where:
Base-Base interactions energy: -29.469
where: short stacking energy: -27.358
Base-Backbone interact. energy: -0.081
local terms energy: -52.977274
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -9.438
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -4.569
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: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -80.301628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.301628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.301628 (E_RNA)
where:
Base-Base interactions energy: -29.454
where: short stacking energy: -29.307
Base-Backbone interact. energy: -0.091
local terms energy: -50.756114
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -230.268827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.268827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.268827 (E_RNA)
where:
Base-Base interactions energy: -151.346
where: short stacking energy: -59.637
Base-Backbone interact. energy: -0.194
local terms energy: -78.729212
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -21.543
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: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -209.885762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.885762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.885762 (E_RNA)
where:
Base-Base interactions energy: -145.211
where: short stacking energy: -61.733
Base-Backbone interact. energy: -0.254
local terms energy: -64.421314
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -216.060258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.060258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.060258 (E_RNA)
where:
Base-Base interactions energy: -147.172
where: short stacking energy: -60.441
Base-Backbone interact. energy: -0.877
local terms energy: -68.011185
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -212.976375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.976375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.976375 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -60.499
Base-Backbone interact. energy: -0.704
local terms energy: -66.764745
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -7.440
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -189.314886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.314886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.314886 (E_RNA)
where:
Base-Base interactions energy: -133.634
where: short stacking energy: -41.297
Base-Backbone interact. energy: -0.799
local terms energy: -54.881822
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -7.251
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -179.394854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.394854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.394854 (E_RNA)
where:
Base-Base interactions energy: -122.158
where: short stacking energy: -42.819
Base-Backbone interact. energy: -0.136
local terms energy: -57.100904
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -9.488
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: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -86.568030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.568030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.568030 (E_RNA)
where:
Base-Base interactions energy: -42.842
where: short stacking energy: -13.996
Base-Backbone interact. energy: -0.541
local terms energy: -43.185273
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -3.342
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: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -82.410490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.410490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.410490 (E_RNA)
where:
Base-Base interactions energy: -27.967
where: short stacking energy: -22.604
Base-Backbone interact. energy: -0.020
local terms energy: -54.423693
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -12.356
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: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -84.221778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.221778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.221778 (E_RNA)
where:
Base-Base interactions energy: -25.796
where: short stacking energy: -25.796
Base-Backbone interact. energy: -0.020
local terms energy: -58.405758
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -72.464311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.464311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.464311 (E_RNA)
where:
Base-Base interactions energy: -27.777
where: short stacking energy: -19.927
Base-Backbone interact. energy: -0.749
local terms energy: -43.938616
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -4.960
tors. eta vs tors. theta energy: 1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -227.949081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.949081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.949081 (E_RNA)
where:
Base-Base interactions energy: -149.982
where: short stacking energy: -69.958
Base-Backbone interact. energy: -0.163
local terms energy: -77.804569
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -21.222
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: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -216.135301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.135301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.135301 (E_RNA)
where:
Base-Base interactions energy: -141.313
where: short stacking energy: -69.199
Base-Backbone interact. energy: -1.189
local terms energy: -73.632737
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -21.190
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: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -203.664705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.664705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.664705 (E_RNA)
where:
Base-Base interactions energy: -143.220
where: short stacking energy: -55.758
Base-Backbone interact. energy: -0.457
local terms energy: -59.987462
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -10.789
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: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -208.442433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.442433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.442433 (E_RNA)
where:
Base-Base interactions energy: -139.421
where: short stacking energy: -51.872
Base-Backbone interact. energy: -0.000
local terms energy: -69.020901
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -18.541
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: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -214.745660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.745660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.745660 (E_RNA)
where:
Base-Base interactions energy: -138.529
where: short stacking energy: -59.662
Base-Backbone interact. energy: -0.717
local terms energy: -75.499303
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -148.122378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.122378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.122378 (E_RNA)
where:
Base-Base interactions energy: -86.458
where: short stacking energy: -41.734
Base-Backbone interact. energy: -0.732
local terms energy: -60.932462
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -124.508035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.508035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.508035 (E_RNA)
where:
Base-Base interactions energy: -80.060
where: short stacking energy: -40.204
Base-Backbone interact. energy: -0.130
local terms energy: -44.318524
where:
bonds (distance) C4'-P energy: -8.665
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -103.218506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.218506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.218506 (E_RNA)
where:
Base-Base interactions energy: -40.920
where: short stacking energy: -40.920
Base-Backbone interact. energy: -0.015
local terms energy: -62.284211
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -82.449938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.449938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.449938 (E_RNA)
where:
Base-Base interactions energy: -27.283
where: short stacking energy: -12.564
Base-Backbone interact. energy: -0.934
local terms energy: -54.232553
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: 2.014
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: 2
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -79.756089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.756089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.756089 (E_RNA)
where:
Base-Base interactions energy: -39.820
where: short stacking energy: -21.321
Base-Backbone interact. energy: -0.170
local terms energy: -39.765844
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -3.935
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -226.504261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.504261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.504261 (E_RNA)
where:
Base-Base interactions energy: -156.611
where: short stacking energy: -66.192
Base-Backbone interact. energy: -0.010
local terms energy: -69.883618
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -220.106993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.106993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.106993 (E_RNA)
where:
Base-Base interactions energy: -148.664
where: short stacking energy: -66.464
Base-Backbone interact. energy: -0.697
local terms energy: -70.745391
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -208.280392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.280392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.280392 (E_RNA)
where:
Base-Base interactions energy: -134.523
where: short stacking energy: -66.822
Base-Backbone interact. energy: -0.297
local terms energy: -73.460266
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -211.163965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.163965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.163965 (E_RNA)
where:
Base-Base interactions energy: -136.884
where: short stacking energy: -56.953
Base-Backbone interact. energy: -0.542
local terms energy: -73.738253
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -210.479251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.479251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.479251 (E_RNA)
where:
Base-Base interactions energy: -140.402
where: short stacking energy: -60.393
Base-Backbone interact. energy: -0.015
local terms energy: -70.062506
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -140.838365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.838365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.838365 (E_RNA)
where:
Base-Base interactions energy: -79.579
where: short stacking energy: -43.151
Base-Backbone interact. energy: -0.129
local terms energy: -61.130196
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -10.019
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: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -133.272001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.272001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.272001 (E_RNA)
where:
Base-Base interactions energy: -77.569
where: short stacking energy: -30.162
Base-Backbone interact. energy: -0.093
local terms energy: -55.610100
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -92.186922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.186922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.186922 (E_RNA)
where:
Base-Base interactions energy: -40.813
where: short stacking energy: -21.374
Base-Backbone interact. energy: -0.088
local terms energy: -51.286598
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -86.188864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.188864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.188864 (E_RNA)
where:
Base-Base interactions energy: -39.361
where: short stacking energy: -39.546
Base-Backbone interact. energy: -0.318
local terms energy: -46.510394
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -3.290
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: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -71.835219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.835219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.835219 (E_RNA)
where:
Base-Base interactions energy: -31.044
where: short stacking energy: -24.154
Base-Backbone interact. energy: -0.037
local terms energy: -40.754583
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -220.049541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.049541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.049541 (E_RNA)
where:
Base-Base interactions energy: -144.341
where: short stacking energy: -61.887
Base-Backbone interact. energy: -1.296
local terms energy: -74.412918
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -220.345455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.345455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.345455 (E_RNA)
where:
Base-Base interactions energy: -141.280
where: short stacking energy: -65.531
Base-Backbone interact. energy: -2.020
local terms energy: -77.045541
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -23.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -213.251603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.251603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.251603 (E_RNA)
where:
Base-Base interactions energy: -144.712
where: short stacking energy: -55.906
Base-Backbone interact. energy: -0.503
local terms energy: -68.037135
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -15.450
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: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -205.843184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.843184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.843184 (E_RNA)
where:
Base-Base interactions energy: -133.894
where: short stacking energy: -55.426
Base-Backbone interact. energy: -0.018
local terms energy: -71.930643
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -202.504936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.504936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.504936 (E_RNA)
where:
Base-Base interactions energy: -134.427
where: short stacking energy: -58.438
Base-Backbone interact. energy: -0.794
local terms energy: -67.284295
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -163.681239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.681239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.681239 (E_RNA)
where:
Base-Base interactions energy: -95.744
where: short stacking energy: -48.396
Base-Backbone interact. energy: -0.053
local terms energy: -67.884403
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -122.227219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.227219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.227219 (E_RNA)
where:
Base-Base interactions energy: -61.136
where: short stacking energy: -34.593
Base-Backbone interact. energy: -0.042
local terms energy: -61.049760
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -12.265
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: 8, replica: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -82.736797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.736797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.736797 (E_RNA)
where:
Base-Base interactions energy: -25.938
where: short stacking energy: -18.308
Base-Backbone interact. energy: -0.600
local terms energy: -56.198328
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -85.663834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.663834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.663834 (E_RNA)
where:
Base-Base interactions energy: -32.571
where: short stacking energy: -31.892
Base-Backbone interact. energy: -0.095
local terms energy: -52.998146
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -74.233976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.233976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.233976 (E_RNA)
where:
Base-Base interactions energy: -31.041
where: short stacking energy: -27.014
Base-Backbone interact. energy: -0.094
local terms energy: -43.099456
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: 0.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -227.497190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.497190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.497190 (E_RNA)
where:
Base-Base interactions energy: -154.769
where: short stacking energy: -69.125
Base-Backbone interact. energy: -1.027
local terms energy: -71.700973
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -214.447491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.447491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.447491 (E_RNA)
where:
Base-Base interactions energy: -140.745
where: short stacking energy: -55.931
Base-Backbone interact. energy: -0.767
local terms energy: -72.936110
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -217.221277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.221277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.221277 (E_RNA)
where:
Base-Base interactions energy: -138.350
where: short stacking energy: -67.054
Base-Backbone interact. energy: -1.223
local terms energy: -77.647751
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -212.235913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.235913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.235913 (E_RNA)
where:
Base-Base interactions energy: -136.010
where: short stacking energy: -56.433
Base-Backbone interact. energy: -0.749
local terms energy: -75.476281
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -191.772362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.772362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.772362 (E_RNA)
where:
Base-Base interactions energy: -124.636
where: short stacking energy: -64.437
Base-Backbone interact. energy: -0.603
local terms energy: -66.533761
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -19.192
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: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -142.363155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.363155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.363155 (E_RNA)
where:
Base-Base interactions energy: -79.794
where: short stacking energy: -41.498
Base-Backbone interact. energy: -0.070
local terms energy: -62.499120
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -9.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -87.119418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.119418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.119418 (E_RNA)
where:
Base-Base interactions energy: -38.048
where: short stacking energy: -35.516
Base-Backbone interact. energy: -0.219
local terms energy: -48.852395
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -96.763732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.763732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.763732 (E_RNA)
where:
Base-Base interactions energy: -40.278
where: short stacking energy: -25.634
Base-Backbone interact. energy: -0.018
local terms energy: -56.467730
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -91.619441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.619441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.619441 (E_RNA)
where:
Base-Base interactions energy: -54.761
where: short stacking energy: -28.754
Base-Backbone interact. energy: 0.701
local terms energy: -37.560077
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -5.451
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -123.943003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.943003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.943003 (E_RNA)
where:
Base-Base interactions energy: -73.718
where: short stacking energy: -32.482
Base-Backbone interact. energy: -0.181
local terms energy: -50.044457
where:
bonds (distance) C4'-P energy: -7.855
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -6.727
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: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -223.728476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.728476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.728476 (E_RNA)
where:
Base-Base interactions energy: -147.964
where: short stacking energy: -62.441
Base-Backbone interact. energy: -0.007
local terms energy: -75.757392
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -17.365
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: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -212.003769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.003769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.003769 (E_RNA)
where:
Base-Base interactions energy: -129.948
where: short stacking energy: -64.307
Base-Backbone interact. energy: -0.266
local terms energy: -81.789940
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -18.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -205.419805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.419805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.419805 (E_RNA)
where:
Base-Base interactions energy: -142.915
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.115
local terms energy: -62.389445
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -192.801943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.801943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.801943 (E_RNA)
where:
Base-Base interactions energy: -126.651
where: short stacking energy: -47.429
Base-Backbone interact. energy: -0.914
local terms energy: -65.237058
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -7.345
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: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -214.401363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.401363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.401363 (E_RNA)
where:
Base-Base interactions energy: -142.307
where: short stacking energy: -52.089
Base-Backbone interact. energy: -0.249
local terms energy: -71.845096
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -16.622
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: 215
Temperature: 1.150000
Total energy: -142.805291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.805291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.805291 (E_RNA)
where:
Base-Base interactions energy: -94.538
where: short stacking energy: -40.061
Base-Backbone interact. energy: 0.560
local terms energy: -48.827430
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -1.736
tors. eta vs tors. theta energy: -9.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -80.625244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.625244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.625244 (E_RNA)
where:
Base-Base interactions energy: -34.220
where: short stacking energy: -30.464
Base-Backbone interact. energy: -1.485
local terms energy: -44.920870
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: 0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -88.823500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.823500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.823500 (E_RNA)
where:
Base-Base interactions energy: -34.877
where: short stacking energy: -31.726
Base-Backbone interact. energy: -0.162
local terms energy: -53.784682
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -10.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -79.958811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.958811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.958811 (E_RNA)
where:
Base-Base interactions energy: -28.487
where: short stacking energy: -16.201
Base-Backbone interact. energy: -0.108
local terms energy: -51.364160
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -8.374
flat angles P-C4'-P energy: -13.745
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: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -97.781208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.781208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.781208 (E_RNA)
where:
Base-Base interactions energy: -54.697
where: short stacking energy: -30.194
Base-Backbone interact. energy: -0.168
local terms energy: -42.915569
where:
bonds (distance) C4'-P energy: -8.854
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -1.238
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: 216
Temperature: 0.900000
Total energy: -224.028146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.028146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.028146 (E_RNA)
where:
Base-Base interactions energy: -152.835
where: short stacking energy: -59.975
Base-Backbone interact. energy: -0.011
local terms energy: -71.181618
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -218.171110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.171110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.171110 (E_RNA)
where:
Base-Base interactions energy: -141.803
where: short stacking energy: -60.253
Base-Backbone interact. energy: -0.007
local terms energy: -76.361217
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -200.981560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.981560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.981560 (E_RNA)
where:
Base-Base interactions energy: -132.636
where: short stacking energy: -49.337
Base-Backbone interact. energy: -0.081
local terms energy: -68.265147
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -15.260
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: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -202.201929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.201929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.201929 (E_RNA)
where:
Base-Base interactions energy: -134.433
where: short stacking energy: -52.398
Base-Backbone interact. energy: 1.696
local terms energy: -69.465415
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -12.279
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: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -166.207044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.207044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.207044 (E_RNA)
where:
Base-Base interactions energy: -101.505
where: short stacking energy: -43.875
Base-Backbone interact. energy: -0.068
local terms energy: -64.633770
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -191.409706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.409706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.409706 (E_RNA)
where:
Base-Base interactions energy: -127.494
where: short stacking energy: -54.438
Base-Backbone interact. energy: -0.007
local terms energy: -63.908959
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -17.594
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: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -84.459053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.459053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.459053 (E_RNA)
where:
Base-Base interactions energy: -33.472
where: short stacking energy: -26.000
Base-Backbone interact. energy: -0.332
local terms energy: -50.655481
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -8.876
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: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -88.492673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.492673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.492673 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -29.490
Base-Backbone interact. energy: -0.020
local terms energy: -55.135697
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -6.371
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: 9, replica: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -73.909242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.909242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.909242 (E_RNA)
where:
Base-Base interactions energy: -26.597
where: short stacking energy: -17.483
Base-Backbone interact. energy: -0.462
local terms energy: -46.850392
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -75.657624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.657624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.657624 (E_RNA)
where:
Base-Base interactions energy: -33.957
where: short stacking energy: -28.726
Base-Backbone interact. energy: -0.145
local terms energy: -41.555831
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -8.312
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: 1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -231.281829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.281829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.281829 (E_RNA)
where:
Base-Base interactions energy: -149.256
where: short stacking energy: -55.200
Base-Backbone interact. energy: 0.016
local terms energy: -82.042314
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -20.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -222.136165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.136165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.136165 (E_RNA)
where:
Base-Base interactions energy: -146.686
where: short stacking energy: -66.901
Base-Backbone interact. energy: 0.080
local terms energy: -75.530130
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -207.258226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.258226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.258226 (E_RNA)
where:
Base-Base interactions energy: -133.203
where: short stacking energy: -59.924
Base-Backbone interact. energy: -0.003
local terms energy: -74.052111
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -209.785490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.785490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.785490 (E_RNA)
where:
Base-Base interactions energy: -140.996
where: short stacking energy: -49.908
Base-Backbone interact. energy: -0.221
local terms energy: -68.568620
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -15.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -169.481819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.481819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.481819 (E_RNA)
where:
Base-Base interactions energy: -102.061
where: short stacking energy: -55.567
Base-Backbone interact. energy: -0.136
local terms energy: -67.285095
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -16.376
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: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -202.975204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.975204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.975204 (E_RNA)
where:
Base-Base interactions energy: -132.252
where: short stacking energy: -58.209
Base-Backbone interact. energy: -0.288
local terms energy: -70.434491
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -24.019
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: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -91.851797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.851797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.851797 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -33.454
Base-Backbone interact. energy: -0.006
local terms energy: -55.063849
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -10.330
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -9.480
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: 8, replica: 3
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -84.588918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.588918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.588918 (E_RNA)
where:
Base-Base interactions energy: -32.742
where: short stacking energy: -27.803
Base-Backbone interact. energy: -0.053
local terms energy: -51.794095
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -83.559017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.559017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.559017 (E_RNA)
where:
Base-Base interactions energy: -34.567
where: short stacking energy: -34.154
Base-Backbone interact. energy: -0.124
local terms energy: -48.867824
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -7.362
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: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -69.575181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.575181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.575181 (E_RNA)
where:
Base-Base interactions energy: -33.874
where: short stacking energy: -12.471
Base-Backbone interact. energy: -0.130
local terms energy: -35.570998
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -2.428
tors. eta vs tors. theta energy: 0.388
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: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -220.806409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.806409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.806409 (E_RNA)
where:
Base-Base interactions energy: -145.526
where: short stacking energy: -52.476
Base-Backbone interact. energy: -0.053
local terms energy: -75.226484
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -215.431465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.431465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.431465 (E_RNA)
where:
Base-Base interactions energy: -143.208
where: short stacking energy: -56.117
Base-Backbone interact. energy: -1.061
local terms energy: -71.162350
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -16.657
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: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -219.906318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.906318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.906318 (E_RNA)
where:
Base-Base interactions energy: -155.365
where: short stacking energy: -58.739
Base-Backbone interact. energy: 0.065
local terms energy: -64.606601
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -17.251
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: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -205.238494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.238494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.238494 (E_RNA)
where:
Base-Base interactions energy: -140.069
where: short stacking energy: -54.744
Base-Backbone interact. energy: -0.159
local terms energy: -65.010009
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -202.950812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.950812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.950812 (E_RNA)
where:
Base-Base interactions energy: -144.846
where: short stacking energy: -53.414
Base-Backbone interact. energy: -0.058
local terms energy: -58.046427
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -8.905
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -17.631
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: 218
Temperature: 1.150000
Total energy: -154.276504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.276504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.276504 (E_RNA)
where:
Base-Base interactions energy: -98.317
where: short stacking energy: -45.021
Base-Backbone interact. energy: 1.294
local terms energy: -57.253424
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -11.452
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: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -85.379690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.379690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.379690 (E_RNA)
where:
Base-Base interactions energy: -30.924
where: short stacking energy: -28.380
Base-Backbone interact. energy: -0.204
local terms energy: -54.251560
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -89.727953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.727953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.727953 (E_RNA)
where:
Base-Base interactions energy: -42.476
where: short stacking energy: -23.582
Base-Backbone interact. energy: 0.548
local terms energy: -47.800318
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: 3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -95.101444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.101444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.101444 (E_RNA)
where:
Base-Base interactions energy: -38.533
where: short stacking energy: -33.803
Base-Backbone interact. energy: -0.007
local terms energy: -56.561148
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -6.725
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -7.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -76.124289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.124289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.124289 (E_RNA)
where:
Base-Base interactions energy: -26.860
where: short stacking energy: -26.860
Base-Backbone interact. energy: -0.031
local terms energy: -49.233186
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -223.228384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.228384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.228384 (E_RNA)
where:
Base-Base interactions energy: -147.133
where: short stacking energy: -63.241
Base-Backbone interact. energy: -1.133
local terms energy: -74.962363
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -215.871279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871279 (E_RNA)
where:
Base-Base interactions energy: -146.078
where: short stacking energy: -56.568
Base-Backbone interact. energy: -0.174
local terms energy: -69.619137
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -217.500992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.500992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.500992 (E_RNA)
where:
Base-Base interactions energy: -136.305
where: short stacking energy: -71.287
Base-Backbone interact. energy: -0.000
local terms energy: -81.196134
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -208.665472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.665472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.665472 (E_RNA)
where:
Base-Base interactions energy: -136.776
where: short stacking energy: -55.880
Base-Backbone interact. energy: -0.627
local terms energy: -71.262588
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -176.447135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.447135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.447135 (E_RNA)
where:
Base-Base interactions energy: -117.808
where: short stacking energy: -42.147
Base-Backbone interact. energy: -0.757
local terms energy: -57.882558
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -91.016671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.016671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.016671 (E_RNA)
where:
Base-Base interactions energy: -35.707
where: short stacking energy: -35.707
Base-Backbone interact. energy: -0.081
local terms energy: -55.229044
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -8.518
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: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -138.728211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.728211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.728211 (E_RNA)
where:
Base-Base interactions energy: -81.637
where: short stacking energy: -43.315
Base-Backbone interact. energy: 0.222
local terms energy: -57.313166
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -12.488
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: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -82.340060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.340060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.340060 (E_RNA)
where:
Base-Base interactions energy: -32.921
where: short stacking energy: -27.581
Base-Backbone interact. energy: 0.603
local terms energy: -50.022183
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: 0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -79.989564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.989564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.989564 (E_RNA)
where:
Base-Base interactions energy: -33.415
where: short stacking energy: -27.093
Base-Backbone interact. energy: -1.568
local terms energy: -45.007155
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -2.436
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: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -93.799883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.799883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.799883 (E_RNA)
where:
Base-Base interactions energy: -40.708
where: short stacking energy: -28.407
Base-Backbone interact. energy: -0.202
local terms energy: -52.890202
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -11.279
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: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -219.354144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.354144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.354144 (E_RNA)
where:
Base-Base interactions energy: -143.544
where: short stacking energy: -57.109
Base-Backbone interact. energy: -1.418
local terms energy: -74.391744
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -13.014
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: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -218.695950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.695950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.695950 (E_RNA)
where:
Base-Base interactions energy: -150.837
where: short stacking energy: -50.616
Base-Backbone interact. energy: -0.084
local terms energy: -67.775297
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -221.985450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.985450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.985450 (E_RNA)
where:
Base-Base interactions energy: -153.236
where: short stacking energy: -55.710
Base-Backbone interact. energy: -0.583
local terms energy: -68.166524
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -13.829
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: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -205.525313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.525313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.525313 (E_RNA)
where:
Base-Base interactions energy: -132.404
where: short stacking energy: -55.895
Base-Backbone interact. energy: -1.268
local terms energy: -71.853112
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -190.069948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.069948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.069948 (E_RNA)
where:
Base-Base interactions energy: -123.567
where: short stacking energy: -43.372
Base-Backbone interact. energy: 0.535
local terms energy: -67.038289
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -8.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -118.056780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.056780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.056780 (E_RNA)
where:
Base-Base interactions energy: -59.245
where: short stacking energy: -30.225
Base-Backbone interact. energy: -0.017
local terms energy: -58.794191
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -10.151
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: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -88.700689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.700689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.700689 (E_RNA)
where:
Base-Base interactions energy: -32.101
where: short stacking energy: -30.240
Base-Backbone interact. energy: -0.155
local terms energy: -56.444803
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -75.733819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.733819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.733819 (E_RNA)
where:
Base-Base interactions energy: -20.188
where: short stacking energy: -20.188
Base-Backbone interact. energy: -0.047
local terms energy: -55.498624
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -78.818787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.818787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.818787 (E_RNA)
where:
Base-Base interactions energy: -29.170
where: short stacking energy: -25.846
Base-Backbone interact. energy: -0.043
local terms energy: -49.605224
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -85.724014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.724014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.724014 (E_RNA)
where:
Base-Base interactions energy: -34.288
where: short stacking energy: -34.288
Base-Backbone interact. energy: -0.060
local terms energy: -51.375943
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -230.131431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.131431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.131431 (E_RNA)
where:
Base-Base interactions energy: -153.715
where: short stacking energy: -62.034
Base-Backbone interact. energy: -0.583
local terms energy: -75.833183
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -226.090818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.090818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.090818 (E_RNA)
where:
Base-Base interactions energy: -153.190
where: short stacking energy: -59.349
Base-Backbone interact. energy: -0.074
local terms energy: -72.827302
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -19.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -212.821765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.821765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.821765 (E_RNA)
where:
Base-Base interactions energy: -146.733
where: short stacking energy: -59.299
Base-Backbone interact. energy: -0.130
local terms energy: -65.958936
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -16.975
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: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -206.051263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.051263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.051263 (E_RNA)
where:
Base-Base interactions energy: -141.095
where: short stacking energy: -69.117
Base-Backbone interact. energy: -0.485
local terms energy: -64.470549
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -200.320319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.320319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.320319 (E_RNA)
where:
Base-Base interactions energy: -133.712
where: short stacking energy: -55.948
Base-Backbone interact. energy: -0.013
local terms energy: -66.595394
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -83.083216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.083216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.083216 (E_RNA)
where:
Base-Base interactions energy: -41.797
where: short stacking energy: -29.208
Base-Backbone interact. energy: 0.970
local terms energy: -42.255817
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -126.734972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.734972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.734972 (E_RNA)
where:
Base-Base interactions energy: -62.829
where: short stacking energy: -34.610
Base-Backbone interact. energy: -0.065
local terms energy: -63.840820
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -13.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -93.658235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.658235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.658235 (E_RNA)
where:
Base-Base interactions energy: -44.177
where: short stacking energy: -33.649
Base-Backbone interact. energy: 5.892
local terms energy: -55.373027
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -75.455798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.455798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.455798 (E_RNA)
where:
Base-Base interactions energy: -29.111
where: short stacking energy: -18.294
Base-Backbone interact. energy: -0.379
local terms energy: -45.966519
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: 1.749
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: 221
Temperature: 1.350000
Total energy: -101.518900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.518900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.518900 (E_RNA)
where:
Base-Base interactions energy: -51.789
where: short stacking energy: -26.746
Base-Backbone interact. energy: -0.561
local terms energy: -49.169526
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -7.526
flat angles P-C4'-P energy: -8.010
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: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -213.284145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.284145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.284145 (E_RNA)
where:
Base-Base interactions energy: -136.451
where: short stacking energy: -58.214
Base-Backbone interact. energy: -0.000
local terms energy: -76.832789
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -17.010
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: 222
Temperature: 0.950000
Total energy: -222.316315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.316315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.316315 (E_RNA)
where:
Base-Base interactions energy: -153.472
where: short stacking energy: -62.461
Base-Backbone interact. energy: 0.921
local terms energy: -69.765202
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -219.609501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.609501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.609501 (E_RNA)
where:
Base-Base interactions energy: -142.493
where: short stacking energy: -56.262
Base-Backbone interact. energy: -0.003
local terms energy: -77.113425
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -209.154413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.154413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.154413 (E_RNA)
where:
Base-Base interactions energy: -134.983
where: short stacking energy: -61.384
Base-Backbone interact. energy: 1.064
local terms energy: -75.234905
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -212.702347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.702347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.702347 (E_RNA)
where:
Base-Base interactions energy: -143.831
where: short stacking energy: -64.499
Base-Backbone interact. energy: -0.025
local terms energy: -68.847009
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -19.044
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: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -113.479393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.479393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.479393 (E_RNA)
where:
Base-Base interactions energy: -63.388
where: short stacking energy: -39.652
Base-Backbone interact. energy: 0.981
local terms energy: -51.072204
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -91.768004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.768004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.768004 (E_RNA)
where:
Base-Base interactions energy: -41.969
where: short stacking energy: -32.143
Base-Backbone interact. energy: -0.152
local terms energy: -49.647569
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -95.619589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.619589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.619589 (E_RNA)
where:
Base-Base interactions energy: -39.855
where: short stacking energy: -31.307
Base-Backbone interact. energy: -0.225
local terms energy: -55.539594
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -11.254
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: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -81.516471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.516471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.516471 (E_RNA)
where:
Base-Base interactions energy: -34.608
where: short stacking energy: -22.848
Base-Backbone interact. energy: -0.507
local terms energy: -46.402067
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -8.340
flat angles P-C4'-P energy: -12.003
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: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -83.126874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.126874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.126874 (E_RNA)
where:
Base-Base interactions energy: -32.527
where: short stacking energy: -29.297
Base-Backbone interact. energy: -0.153
local terms energy: -50.446954
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -8.581
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: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -225.387788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.387788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.387788 (E_RNA)
where:
Base-Base interactions energy: -150.109
where: short stacking energy: -60.980
Base-Backbone interact. energy: -0.090
local terms energy: -75.188741
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -218.265476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.265476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.265476 (E_RNA)
where:
Base-Base interactions energy: -143.778
where: short stacking energy: -60.150
Base-Backbone interact. energy: 0.801
local terms energy: -75.288276
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -218.212343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.212343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.212343 (E_RNA)
where:
Base-Base interactions energy: -152.709
where: short stacking energy: -58.649
Base-Backbone interact. energy: -0.005
local terms energy: -65.498389
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -208.780546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.780546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.780546 (E_RNA)
where:
Base-Base interactions energy: -140.984
where: short stacking energy: -53.708
Base-Backbone interact. energy: -1.065
local terms energy: -66.731886
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -184.431119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.431119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.431119 (E_RNA)
where:
Base-Base interactions energy: -122.959
where: short stacking energy: -58.974
Base-Backbone interact. energy: -0.009
local terms energy: -61.463053
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -17.603
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: 223
Temperature: 1.150000
Total energy: -99.582158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.582158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.582158 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -36.843
Base-Backbone interact. energy: -0.024
local terms energy: -62.714544
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -10.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -89.050882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.050882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.050882 (E_RNA)
where:
Base-Base interactions energy: -40.009
where: short stacking energy: -33.412
Base-Backbone interact. energy: -0.697
local terms energy: -48.345465
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -92.104132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.104132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.104132 (E_RNA)
where:
Base-Base interactions energy: -40.266
where: short stacking energy: -31.839
Base-Backbone interact. energy: -0.203
local terms energy: -51.635042
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -6.961
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -82.582643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.582643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.582643 (E_RNA)
where:
Base-Base interactions energy: -40.524
where: short stacking energy: -30.177
Base-Backbone interact. energy: -0.289
local terms energy: -41.769711
where:
bonds (distance) C4'-P energy: -7.708
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: 0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -78.569810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.569810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.569810 (E_RNA)
where:
Base-Base interactions energy: -29.797
where: short stacking energy: -29.303
Base-Backbone interact. energy: -0.058
local terms energy: -48.714998
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -230.448802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.448802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.448802 (E_RNA)
where:
Base-Base interactions energy: -149.319
where: short stacking energy: -59.346
Base-Backbone interact. energy: -0.701
local terms energy: -80.428840
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -220.772492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.772492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.772492 (E_RNA)
where:
Base-Base interactions energy: -142.408
where: short stacking energy: -64.060
Base-Backbone interact. energy: 2.054
local terms energy: -80.418200
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -219.777667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.777667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.777667 (E_RNA)
where:
Base-Base interactions energy: -141.430
where: short stacking energy: -71.477
Base-Backbone interact. energy: -0.814
local terms energy: -77.533289
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -19.235
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: 224
Temperature: 1.050000
Total energy: -204.852926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.852926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.852926 (E_RNA)
where:
Base-Base interactions energy: -135.241
where: short stacking energy: -60.570
Base-Backbone interact. energy: -0.004
local terms energy: -69.607757
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -189.128213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.128213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.128213 (E_RNA)
where:
Base-Base interactions energy: -128.785
where: short stacking energy: -53.278
Base-Backbone interact. energy: -0.514
local terms energy: -59.829725
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -9.903
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: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -98.988728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.988728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.988728 (E_RNA)
where:
Base-Base interactions energy: -38.933
where: short stacking energy: -38.933
Base-Backbone interact. energy: 0.338
local terms energy: -60.393583
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -10.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -84.131763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.131763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.131763 (E_RNA)
where:
Base-Base interactions energy: -32.567
where: short stacking energy: -29.147
Base-Backbone interact. energy: -0.116
local terms energy: -51.448680
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -10.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -94.682304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.682304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.682304 (E_RNA)
where:
Base-Base interactions energy: -42.013
where: short stacking energy: -28.329
Base-Backbone interact. energy: -0.066
local terms energy: -52.603369
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -8.081
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: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -85.282881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.282881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.282881 (E_RNA)
where:
Base-Base interactions energy: -27.750
where: short stacking energy: -27.750
Base-Backbone interact. energy: -0.118
local terms energy: -57.415797
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -77.566671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.566671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.566671 (E_RNA)
where:
Base-Base interactions energy: -21.826
where: short stacking energy: -19.805
Base-Backbone interact. energy: -0.115
local terms energy: -55.625829
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -7.177
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: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -224.207201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.207201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.207201 (E_RNA)
where:
Base-Base interactions energy: -142.841
where: short stacking energy: -71.513
Base-Backbone interact. energy: -1.699
local terms energy: -79.667614
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -224.884284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.884284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.884284 (E_RNA)
where:
Base-Base interactions energy: -146.763
where: short stacking energy: -70.016
Base-Backbone interact. energy: -0.272
local terms energy: -77.848921
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -22.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -201.538923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.538923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.538923 (E_RNA)
where:
Base-Base interactions energy: -138.281
where: short stacking energy: -45.332
Base-Backbone interact. energy: -0.294
local terms energy: -62.964824
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -190.263098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.263098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.263098 (E_RNA)
where:
Base-Base interactions energy: -131.596
where: short stacking energy: -57.518
Base-Backbone interact. energy: 2.491
local terms energy: -61.158277
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -206.905846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.905846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.905846 (E_RNA)
where:
Base-Base interactions energy: -136.899
where: short stacking energy: -61.670
Base-Backbone interact. energy: -0.001
local terms energy: -70.005560
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -96.570947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.570947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.570947 (E_RNA)
where:
Base-Base interactions energy: -46.610
where: short stacking energy: -41.026
Base-Backbone interact. energy: 3.317
local terms energy: -53.277535
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -9.123
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: 7, replica: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -94.497474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.497474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.497474 (E_RNA)
where:
Base-Base interactions energy: -42.268
where: short stacking energy: -36.110
Base-Backbone interact. energy: -0.156
local terms energy: -52.072944
where:
bonds (distance) C4'-P energy: -5.257
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -89.460694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.460694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.460694 (E_RNA)
where:
Base-Base interactions energy: -36.602
where: short stacking energy: -36.602
Base-Backbone interact. energy: -0.025
local terms energy: -52.833717
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -90.859209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.859209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.859209 (E_RNA)
where:
Base-Base interactions energy: -42.179
where: short stacking energy: -22.546
Base-Backbone interact. energy: -0.089
local terms energy: -48.590531
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -9.606
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: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -83.260504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.260504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.260504 (E_RNA)
where:
Base-Base interactions energy: -26.939
where: short stacking energy: -27.005
Base-Backbone interact. energy: -0.179
local terms energy: -56.142867
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -9.106
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: 226
Temperature: 0.900000
Total energy: -218.939135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.939135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.939135 (E_RNA)
where:
Base-Base interactions energy: -150.056
where: short stacking energy: -55.198
Base-Backbone interact. energy: 0.026
local terms energy: -68.909299
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -220.068117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.068117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.068117 (E_RNA)
where:
Base-Base interactions energy: -140.038
where: short stacking energy: -61.456
Base-Backbone interact. energy: -0.775
local terms energy: -79.255147
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -217.724953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.724953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.724953 (E_RNA)
where:
Base-Base interactions energy: -145.912
where: short stacking energy: -58.139
Base-Backbone interact. energy: -0.069
local terms energy: -71.744261
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -181.626419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.626419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.626419 (E_RNA)
where:
Base-Base interactions energy: -119.373
where: short stacking energy: -53.048
Base-Backbone interact. energy: 1.549
local terms energy: -63.802299
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -199.411733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.411733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.411733 (E_RNA)
where:
Base-Base interactions energy: -132.832
where: short stacking energy: -50.734
Base-Backbone interact. energy: -0.215
local terms energy: -66.365010
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -8.926
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: 6, replica: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -103.437329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.437329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.437329 (E_RNA)
where:
Base-Base interactions energy: -47.123
where: short stacking energy: -36.268
Base-Backbone interact. energy: -0.354
local terms energy: -55.959606
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -7.757
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: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -101.209276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.209276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.209276 (E_RNA)
where:
Base-Base interactions energy: -45.575
where: short stacking energy: -36.684
Base-Backbone interact. energy: -0.292
local terms energy: -55.341753
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -91.239941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.239941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.239941 (E_RNA)
where:
Base-Base interactions energy: -35.439
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.033
local terms energy: -55.768380
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -79.842499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.842499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.842499 (E_RNA)
where:
Base-Base interactions energy: -27.259
where: short stacking energy: -22.731
Base-Backbone interact. energy: -0.093
local terms energy: -52.491047
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -78.789579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.789579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.789579 (E_RNA)
where:
Base-Base interactions energy: -31.846
where: short stacking energy: -30.618
Base-Backbone interact. energy: -0.007
local terms energy: -46.937568
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -220.348750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.348750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.348750 (E_RNA)
where:
Base-Base interactions energy: -143.778
where: short stacking energy: -72.573
Base-Backbone interact. energy: -0.124
local terms energy: -76.447202
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -219.011786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.011786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.011786 (E_RNA)
where:
Base-Base interactions energy: -147.769
where: short stacking energy: -58.089
Base-Backbone interact. energy: 0.446
local terms energy: -71.689096
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -208.446234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.446234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.446234 (E_RNA)
where:
Base-Base interactions energy: -135.202
where: short stacking energy: -51.924
Base-Backbone interact. energy: -0.308
local terms energy: -72.936055
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -212.254643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.254643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.254643 (E_RNA)
where:
Base-Base interactions energy: -138.440
where: short stacking energy: -54.131
Base-Backbone interact. energy: -0.019
local terms energy: -73.795450
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -198.298738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.298738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.298738 (E_RNA)
where:
Base-Base interactions energy: -132.305
where: short stacking energy: -49.355
Base-Backbone interact. energy: -1.017
local terms energy: -64.976708
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -15.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -87.999966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.999966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.999966 (E_RNA)
where:
Base-Base interactions energy: -40.376
where: short stacking energy: -29.682
Base-Backbone interact. energy: -0.012
local terms energy: -47.612107
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -8.706
flat angles P-C4'-P energy: -6.602
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: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -85.606911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.606911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.606911 (E_RNA)
where:
Base-Base interactions energy: -47.102
where: short stacking energy: -27.439
Base-Backbone interact. energy: -0.417
local terms energy: -38.088555
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -1.772
tors. eta vs tors. theta energy: -0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -83.700890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.700890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.700890 (E_RNA)
where:
Base-Base interactions energy: -32.120
where: short stacking energy: -32.120
Base-Backbone interact. energy: -0.008
local terms energy: -51.572658
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -79.089304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.089304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.089304 (E_RNA)
where:
Base-Base interactions energy: -28.746
where: short stacking energy: -28.746
Base-Backbone interact. energy: -0.194
local terms energy: -50.149913
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -79.943477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.943477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.943477 (E_RNA)
where:
Base-Base interactions energy: -39.945
where: short stacking energy: -26.750
Base-Backbone interact. energy: -0.150
local terms energy: -39.848449
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -6.629
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -1.348
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: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -230.039785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.039785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.039785 (E_RNA)
where:
Base-Base interactions energy: -156.688
where: short stacking energy: -64.648
Base-Backbone interact. energy: -0.103
local terms energy: -73.248510
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -218.427207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.427207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.427207 (E_RNA)
where:
Base-Base interactions energy: -140.458
where: short stacking energy: -67.200
Base-Backbone interact. energy: -0.000
local terms energy: -77.969194
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -215.190554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.190554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.190554 (E_RNA)
where:
Base-Base interactions energy: -137.866
where: short stacking energy: -56.485
Base-Backbone interact. energy: -1.147
local terms energy: -76.177909
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -201.810543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.810543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.810543 (E_RNA)
where:
Base-Base interactions energy: -136.922
where: short stacking energy: -55.353
Base-Backbone interact. energy: 0.055
local terms energy: -64.943493
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -11.796
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: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -211.787520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.787520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.787520 (E_RNA)
where:
Base-Base interactions energy: -142.735
where: short stacking energy: -60.706
Base-Backbone interact. energy: -0.067
local terms energy: -68.985061
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -18.972
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: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -92.312454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.312454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.312454 (E_RNA)
where:
Base-Base interactions energy: -40.751
where: short stacking energy: -30.020
Base-Backbone interact. energy: -0.040
local terms energy: -51.521883
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -86.414338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.414338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.414338 (E_RNA)
where:
Base-Base interactions energy: -32.136
where: short stacking energy: -32.136
Base-Backbone interact. energy: -0.004
local terms energy: -54.274693
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -87.742252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.742252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.742252 (E_RNA)
where:
Base-Base interactions energy: -32.708
where: short stacking energy: -23.200
Base-Backbone interact. energy: -0.248
local terms energy: -54.786012
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -10.269
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: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -84.527307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.527307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.527307 (E_RNA)
where:
Base-Base interactions energy: -38.839
where: short stacking energy: -28.614
Base-Backbone interact. energy: -0.769
local terms energy: -44.918892
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -77.162557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.162557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.162557 (E_RNA)
where:
Base-Base interactions energy: -28.063
where: short stacking energy: -15.638
Base-Backbone interact. energy: -0.960
local terms energy: -48.139598
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -218.985225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.985225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.985225 (E_RNA)
where:
Base-Base interactions energy: -150.363
where: short stacking energy: -56.952
Base-Backbone interact. energy: 0.883
local terms energy: -69.504741
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -16.178
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: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -213.045000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.045000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.045000 (E_RNA)
where:
Base-Base interactions energy: -141.063
where: short stacking energy: -60.104
Base-Backbone interact. energy: -0.736
local terms energy: -71.245883
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -16.068
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: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -221.635690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.635690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.635690 (E_RNA)
where:
Base-Base interactions energy: -150.504
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.058
local terms energy: -71.073810
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -17.006
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: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -216.093206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.093206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.093206 (E_RNA)
where:
Base-Base interactions energy: -140.447
where: short stacking energy: -58.564
Base-Backbone interact. energy: -1.404
local terms energy: -74.241772
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -189.088745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.088745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.088745 (E_RNA)
where:
Base-Base interactions energy: -123.919
where: short stacking energy: -51.921
Base-Backbone interact. energy: -1.289
local terms energy: -63.881007
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -91.819727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.819727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.819727 (E_RNA)
where:
Base-Base interactions energy: -48.757
where: short stacking energy: -35.979
Base-Backbone interact. energy: 2.402
local terms energy: -45.463963
where:
bonds (distance) C4'-P energy: -6.745
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -88.572867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.572867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.572867 (E_RNA)
where:
Base-Base interactions energy: -37.893
where: short stacking energy: -37.893
Base-Backbone interact. energy: -0.003
local terms energy: -50.677270
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -1.776
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: 229
Temperature: 1.250000
Total energy: -83.942372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.942372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.942372 (E_RNA)
where:
Base-Base interactions energy: -38.602
where: short stacking energy: -29.946
Base-Backbone interact. energy: -1.235
local terms energy: -44.105517
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: 2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -78.856892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.856892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.856892 (E_RNA)
where:
Base-Base interactions energy: -28.256
where: short stacking energy: -17.621
Base-Backbone interact. energy: 0.812
local terms energy: -51.413395
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: 2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -67.770133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.770133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.770133 (E_RNA)
where:
Base-Base interactions energy: -19.733
where: short stacking energy: -16.245
Base-Backbone interact. energy: -0.714
local terms energy: -47.323443
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: 6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -221.896810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.896810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.896810 (E_RNA)
where:
Base-Base interactions energy: -145.881
where: short stacking energy: -62.392
Base-Backbone interact. energy: -0.736
local terms energy: -75.280007
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -208.483061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.483061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.483061 (E_RNA)
where:
Base-Base interactions energy: -136.763
where: short stacking energy: -49.523
Base-Backbone interact. energy: -0.225
local terms energy: -71.495316
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -15.229
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: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -217.574901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.574901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.574901 (E_RNA)
where:
Base-Base interactions energy: -146.091
where: short stacking energy: -56.859
Base-Backbone interact. energy: -0.017
local terms energy: -71.467474
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -215.175219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.175219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.175219 (E_RNA)
where:
Base-Base interactions energy: -142.503
where: short stacking energy: -50.819
Base-Backbone interact. energy: -0.042
local terms energy: -72.629924
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -202.777370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.777370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.777370 (E_RNA)
where:
Base-Base interactions energy: -129.038
where: short stacking energy: -53.737
Base-Backbone interact. energy: -0.095
local terms energy: -73.644267
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -90.572526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.572526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.572526 (E_RNA)
where:
Base-Base interactions energy: -30.241
where: short stacking energy: -30.201
Base-Backbone interact. energy: -0.107
local terms energy: -60.225121
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -12.811
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: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -92.620631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.620631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.620631 (E_RNA)
where:
Base-Base interactions energy: -42.344
where: short stacking energy: -31.960
Base-Backbone interact. energy: 0.269
local terms energy: -50.545729
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -81.031619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.031619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.031619 (E_RNA)
where:
Base-Base interactions energy: -37.419
where: short stacking energy: -28.006
Base-Backbone interact. energy: -0.563
local terms energy: -43.049771
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -83.878798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.878798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.878798 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -25.549
Base-Backbone interact. energy: -0.244
local terms energy: -50.728168
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -7.720
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: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -74.522263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.522263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.522263 (E_RNA)
where:
Base-Base interactions energy: -23.500
where: short stacking energy: -24.277
Base-Backbone interact. energy: -0.119
local terms energy: -50.903407
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -229.711292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.711292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.711292 (E_RNA)
where:
Base-Base interactions energy: -155.686
where: short stacking energy: -62.736
Base-Backbone interact. energy: -0.734
local terms energy: -73.291569
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -211.389510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.389510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.389510 (E_RNA)
where:
Base-Base interactions energy: -134.477
where: short stacking energy: -58.155
Base-Backbone interact. energy: -0.001
local terms energy: -76.911594
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -16.630
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: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -224.052945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.052945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.052945 (E_RNA)
where:
Base-Base interactions energy: -146.949
where: short stacking energy: -55.488
Base-Backbone interact. energy: -0.083
local terms energy: -77.020524
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -206.599095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.599095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.599095 (E_RNA)
where:
Base-Base interactions energy: -137.742
where: short stacking energy: -53.294
Base-Backbone interact. energy: -0.171
local terms energy: -68.685783
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -208.400630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.400630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.400630 (E_RNA)
where:
Base-Base interactions energy: -140.181
where: short stacking energy: -49.225
Base-Backbone interact. energy: -0.247
local terms energy: -67.972888
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -100.430863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.430863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.430863 (E_RNA)
where:
Base-Base interactions energy: -42.612
where: short stacking energy: -29.990
Base-Backbone interact. energy: -0.068
local terms energy: -57.750593
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -101.918191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.918191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.918191 (E_RNA)
where:
Base-Base interactions energy: -50.418
where: short stacking energy: -35.016
Base-Backbone interact. energy: -0.454
local terms energy: -51.046574
where:
bonds (distance) C4'-P energy: -9.451
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -94.782775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.782775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.782775 (E_RNA)
where:
Base-Base interactions energy: -45.027
where: short stacking energy: -29.026
Base-Backbone interact. energy: -0.095
local terms energy: -49.660214
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -78.368572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.368572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.368572 (E_RNA)
where:
Base-Base interactions energy: -32.542
where: short stacking energy: -32.542
Base-Backbone interact. energy: 0.086
local terms energy: -45.912265
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -0.596
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -76.125985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.125985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.125985 (E_RNA)
where:
Base-Base interactions energy: -27.822
where: short stacking energy: -20.215
Base-Backbone interact. energy: -0.143
local terms energy: -48.161153
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -223.920610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.920610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.920610 (E_RNA)
where:
Base-Base interactions energy: -148.971
where: short stacking energy: -68.622
Base-Backbone interact. energy: -0.018
local terms energy: -74.932183
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -218.546919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.546919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.546919 (E_RNA)
where:
Base-Base interactions energy: -135.980
where: short stacking energy: -66.540
Base-Backbone interact. energy: -0.034
local terms energy: -82.532148
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -215.607257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.607257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.607257 (E_RNA)
where:
Base-Base interactions energy: -141.240
where: short stacking energy: -52.151
Base-Backbone interact. energy: -0.004
local terms energy: -74.363129
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -216.701485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.701485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.701485 (E_RNA)
where:
Base-Base interactions energy: -146.417
where: short stacking energy: -53.801
Base-Backbone interact. energy: -0.071
local terms energy: -70.214295
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -199.876676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.876676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.876676 (E_RNA)
where:
Base-Base interactions energy: -138.392
where: short stacking energy: -50.927
Base-Backbone interact. energy: -0.654
local terms energy: -60.830602
where:
bonds (distance) C4'-P energy: -8.249
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -15.642
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: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -97.720687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.720687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.720687 (E_RNA)
where:
Base-Base interactions energy: -47.866
where: short stacking energy: -33.759
Base-Backbone interact. energy: -0.074
local terms energy: -49.780925
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -91.736763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.736763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.736763 (E_RNA)
where:
Base-Base interactions energy: -36.204
where: short stacking energy: -31.405
Base-Backbone interact. energy: -0.129
local terms energy: -55.403745
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -88.158174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.158174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.158174 (E_RNA)
where:
Base-Base interactions energy: -40.081
where: short stacking energy: -40.011
Base-Backbone interact. energy: -0.104
local terms energy: -47.972926
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -6.521
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: 9, replica: 3
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -89.186402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.186402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.186402 (E_RNA)
where:
Base-Base interactions energy: -40.987
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.103
local terms energy: -48.096268
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -6.556
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -8.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -84.450882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.450882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.450882 (E_RNA)
where:
Base-Base interactions energy: -36.065
where: short stacking energy: -31.326
Base-Backbone interact. energy: -0.739
local terms energy: -47.646629
where:
bonds (distance) C4'-P energy: -8.287
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -223.564990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.564990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.564990 (E_RNA)
where:
Base-Base interactions energy: -145.081
where: short stacking energy: -53.159
Base-Backbone interact. energy: -0.689
local terms energy: -77.794795
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -15.176
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: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -216.998525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.998525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.998525 (E_RNA)
where:
Base-Base interactions energy: -142.242
where: short stacking energy: -59.058
Base-Backbone interact. energy: -1.021
local terms energy: -73.735367
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -215.494587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.494587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.494587 (E_RNA)
where:
Base-Base interactions energy: -138.905
where: short stacking energy: -62.875
Base-Backbone interact. energy: -0.178
local terms energy: -76.411491
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -212.712768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.712768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.712768 (E_RNA)
where:
Base-Base interactions energy: -147.153
where: short stacking energy: -51.843
Base-Backbone interact. energy: -0.564
local terms energy: -64.995762
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -14.901
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: 9
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -196.706253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.706253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.706253 (E_RNA)
where:
Base-Base interactions energy: -127.786
where: short stacking energy: -51.446
Base-Backbone interact. energy: -0.019
local terms energy: -68.900860
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -99.593662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.593662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.593662 (E_RNA)
where:
Base-Base interactions energy: -39.180
where: short stacking energy: -27.060
Base-Backbone interact. energy: -0.897
local terms energy: -59.516828
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -7.764
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: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -108.346621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.346621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.346621 (E_RNA)
where:
Base-Base interactions energy: -59.420
where: short stacking energy: -30.264
Base-Backbone interact. energy: -1.425
local terms energy: -47.501894
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -6.147
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -88.527576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.527576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.527576 (E_RNA)
where:
Base-Base interactions energy: -32.373
where: short stacking energy: -31.225
Base-Backbone interact. energy: -0.003
local terms energy: -56.151115
where:
bonds (distance) C4'-P energy: -8.587
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -8.965
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: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -79.819942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.819942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.819942 (E_RNA)
where:
Base-Base interactions energy: -27.937
where: short stacking energy: -25.493
Base-Backbone interact. energy: -0.071
local terms energy: -51.811531
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -8.488
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: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -90.354808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.354808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.354808 (E_RNA)
where:
Base-Base interactions energy: -42.556
where: short stacking energy: -17.669
Base-Backbone interact. energy: 0.457
local terms energy: -48.256572
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -226.187150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.187150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.187150 (E_RNA)
where:
Base-Base interactions energy: -149.376
where: short stacking energy: -65.250
Base-Backbone interact. energy: -0.020
local terms energy: -76.791176
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -220.908740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.908740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.908740 (E_RNA)
where:
Base-Base interactions energy: -150.814
where: short stacking energy: -62.800
Base-Backbone interact. energy: -0.014
local terms energy: -70.081069
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -204.360138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.360138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.360138 (E_RNA)
where:
Base-Base interactions energy: -134.015
where: short stacking energy: -49.903
Base-Backbone interact. energy: -0.296
local terms energy: -70.048587
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -207.386530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.386530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.386530 (E_RNA)
where:
Base-Base interactions energy: -139.753
where: short stacking energy: -69.666
Base-Backbone interact. energy: -0.200
local terms energy: -67.433674
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -205.419669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.419669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.419669 (E_RNA)
where:
Base-Base interactions energy: -133.242
where: short stacking energy: -65.895
Base-Backbone interact. energy: -0.076
local terms energy: -72.101449
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -100.641572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.641572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.641572 (E_RNA)
where:
Base-Base interactions energy: -51.323
where: short stacking energy: -24.076
Base-Backbone interact. energy: -2.377
local terms energy: -46.941864
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -3.430
tors. eta vs tors. theta energy: -2.395
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: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -102.757481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.757481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.757481 (E_RNA)
where:
Base-Base interactions energy: -46.619
where: short stacking energy: -23.520
Base-Backbone interact. energy: -1.946
local terms energy: -54.192446
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -90.832259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.832259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.832259 (E_RNA)
where:
Base-Base interactions energy: -44.290
where: short stacking energy: -25.032
Base-Backbone interact. energy: -0.035
local terms energy: -46.507515
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -4.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -80.888690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.888690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.888690 (E_RNA)
where:
Base-Base interactions energy: -27.869
where: short stacking energy: -20.641
Base-Backbone interact. energy: -0.218
local terms energy: -52.801885
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -83.083572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.083572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.083572 (E_RNA)
where:
Base-Base interactions energy: -29.959
where: short stacking energy: -27.074
Base-Backbone interact. energy: -0.121
local terms energy: -53.003331
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -230.825592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.825592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.825592 (E_RNA)
where:
Base-Base interactions energy: -151.841
where: short stacking energy: -71.333
Base-Backbone interact. energy: -0.649
local terms energy: -78.335065
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -217.626021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.626021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.626021 (E_RNA)
where:
Base-Base interactions energy: -144.222
where: short stacking energy: -64.178
Base-Backbone interact. energy: -0.185
local terms energy: -73.219060
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -222.658207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.658207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.658207 (E_RNA)
where:
Base-Base interactions energy: -141.371
where: short stacking energy: -61.800
Base-Backbone interact. energy: -0.958
local terms energy: -80.328742
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -212.621316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.621316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.621316 (E_RNA)
where:
Base-Base interactions energy: -137.207
where: short stacking energy: -60.352
Base-Backbone interact. energy: -0.312
local terms energy: -75.102311
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -185.025866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.025866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.025866 (E_RNA)
where:
Base-Base interactions energy: -118.008
where: short stacking energy: -47.635
Base-Backbone interact. energy: 0.955
local terms energy: -67.972310
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -108.758866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.758866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.758866 (E_RNA)
where:
Base-Base interactions energy: -60.818
where: short stacking energy: -37.151
Base-Backbone interact. energy: -0.131
local terms energy: -47.809656
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -90.954420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.954420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.954420 (E_RNA)
where:
Base-Base interactions energy: -35.926
where: short stacking energy: -27.507
Base-Backbone interact. energy: -0.147
local terms energy: -54.881371
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -103.704847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.704847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.704847 (E_RNA)
where:
Base-Base interactions energy: -47.475
where: short stacking energy: -42.559
Base-Backbone interact. energy: -0.246
local terms energy: -55.983769
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -4.338
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: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -92.560495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.560495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.560495 (E_RNA)
where:
Base-Base interactions energy: -49.563
where: short stacking energy: -30.541
Base-Backbone interact. energy: -0.337
local terms energy: -42.660815
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -4.386
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: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -81.693719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.693719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.693719 (E_RNA)
where:
Base-Base interactions energy: -33.827
where: short stacking energy: -31.955
Base-Backbone interact. energy: -0.108
local terms energy: -47.758447
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -229.541072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.541072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.541072 (E_RNA)
where:
Base-Base interactions energy: -146.756
where: short stacking energy: -73.313
Base-Backbone interact. energy: -0.001
local terms energy: -82.783769
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -23.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -216.496515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.496515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.496515 (E_RNA)
where:
Base-Base interactions energy: -139.856
where: short stacking energy: -52.465
Base-Backbone interact. energy: -0.156
local terms energy: -76.484172
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -15.064
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: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -228.965453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.965453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.965453 (E_RNA)
where:
Base-Base interactions energy: -150.309
where: short stacking energy: -63.742
Base-Backbone interact. energy: -0.949
local terms energy: -77.707259
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -215.919764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.919764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.919764 (E_RNA)
where:
Base-Base interactions energy: -141.025
where: short stacking energy: -61.459
Base-Backbone interact. energy: 0.093
local terms energy: -74.987788
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -204.491695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.491695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.491695 (E_RNA)
where:
Base-Base interactions energy: -140.289
where: short stacking energy: -55.878
Base-Backbone interact. energy: -0.451
local terms energy: -63.751162
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -12.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -95.938177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.938177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.938177 (E_RNA)
where:
Base-Base interactions energy: -49.355
where: short stacking energy: -27.087
Base-Backbone interact. energy: 0.097
local terms energy: -46.680555
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -100.913738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.913738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.913738 (E_RNA)
where:
Base-Base interactions energy: -38.890
where: short stacking energy: -27.525
Base-Backbone interact. energy: -0.314
local terms energy: -61.709263
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -84.109647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.109647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.109647 (E_RNA)
where:
Base-Base interactions energy: -25.970
where: short stacking energy: -25.137
Base-Backbone interact. energy: -0.361
local terms energy: -57.778958
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -76.578823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.578823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.578823 (E_RNA)
where:
Base-Base interactions energy: -31.282
where: short stacking energy: -19.224
Base-Backbone interact. energy: -0.161
local terms energy: -45.135807
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: 5.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -77.065635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.065635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.065635 (E_RNA)
where:
Base-Base interactions energy: -25.596
where: short stacking energy: -17.172
Base-Backbone interact. energy: -0.340
local terms energy: -51.129598
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -219.212872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.212872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.212872 (E_RNA)
where:
Base-Base interactions energy: -142.135
where: short stacking energy: -64.879
Base-Backbone interact. energy: 0.589
local terms energy: -77.666222
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -214.964353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.964353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.964353 (E_RNA)
where:
Base-Base interactions energy: -140.722
where: short stacking energy: -70.703
Base-Backbone interact. energy: -0.068
local terms energy: -74.174633
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -192.838662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.838662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.838662 (E_RNA)
where:
Base-Base interactions energy: -124.736
where: short stacking energy: -58.281
Base-Backbone interact. energy: -0.001
local terms energy: -68.101597
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -210.137025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.137025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.137025 (E_RNA)
where:
Base-Base interactions energy: -142.655
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.346
local terms energy: -67.136822
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -202.652866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.652866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.652866 (E_RNA)
where:
Base-Base interactions energy: -137.734
where: short stacking energy: -60.280
Base-Backbone interact. energy: -0.099
local terms energy: -64.820427
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -15.398
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: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -96.775306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.775306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.775306 (E_RNA)
where:
Base-Base interactions energy: -49.554
where: short stacking energy: -21.336
Base-Backbone interact. energy: -0.357
local terms energy: -46.864253
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -2.409
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -89.370430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.370430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.370430 (E_RNA)
where:
Base-Base interactions energy: -44.620
where: short stacking energy: -22.822
Base-Backbone interact. energy: 0.609
local terms energy: -45.358676
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: 2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -91.847679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.847679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.847679 (E_RNA)
where:
Base-Base interactions energy: -36.321
where: short stacking energy: -36.321
Base-Backbone interact. energy: -0.109
local terms energy: -55.417775
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -5.901
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: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -79.575668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.575668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.575668 (E_RNA)
where:
Base-Base interactions energy: -34.043
where: short stacking energy: -18.337
Base-Backbone interact. energy: -0.397
local terms energy: -45.135988
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -1.985
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: 10, replica: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -84.909945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.909945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.909945 (E_RNA)
where:
Base-Base interactions energy: -38.586
where: short stacking energy: -38.586
Base-Backbone interact. energy: -0.141
local terms energy: -46.182508
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -226.543521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.543521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.543521 (E_RNA)
where:
Base-Base interactions energy: -142.240
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.030
local terms energy: -84.274321
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -219.542098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.542098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.542098 (E_RNA)
where:
Base-Base interactions energy: -141.819
where: short stacking energy: -63.759
Base-Backbone interact. energy: -0.001
local terms energy: -77.721371
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -215.218876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.218876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.218876 (E_RNA)
where:
Base-Base interactions energy: -141.850
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.479
local terms energy: -72.889362
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -18.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -201.171291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.171291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.171291 (E_RNA)
where:
Base-Base interactions energy: -134.609
where: short stacking energy: -57.179
Base-Backbone interact. energy: -0.017
local terms energy: -66.544446
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -204.349854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.349854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.349854 (E_RNA)
where:
Base-Base interactions energy: -140.025
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.001
local terms energy: -64.323503
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -100.565083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.565083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.565083 (E_RNA)
where:
Base-Base interactions energy: -37.104
where: short stacking energy: -37.104
Base-Backbone interact. energy: -0.044
local terms energy: -63.416345
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -101.269818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.269818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.269818 (E_RNA)
where:
Base-Base interactions energy: -44.455
where: short stacking energy: -44.455
Base-Backbone interact. energy: -0.342
local terms energy: -56.473227
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -103.237268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.237268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.237268 (E_RNA)
where:
Base-Base interactions energy: -52.872
where: short stacking energy: -27.411
Base-Backbone interact. energy: -1.027
local terms energy: -49.339167
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -7.618
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: 0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -76.581341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.581341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.581341 (E_RNA)
where:
Base-Base interactions energy: -28.412
where: short stacking energy: -26.172
Base-Backbone interact. energy: -0.194
local terms energy: -47.975125
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -77.642058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.642058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.642058 (E_RNA)
where:
Base-Base interactions energy: -37.093
where: short stacking energy: -30.990
Base-Backbone interact. energy: -0.175
local terms energy: -40.374193
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -0.640
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: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -228.955368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.955368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.955368 (E_RNA)
where:
Base-Base interactions energy: -148.510
where: short stacking energy: -73.439
Base-Backbone interact. energy: -0.734
local terms energy: -79.711654
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -19.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -229.268235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.268235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.268235 (E_RNA)
where:
Base-Base interactions energy: -148.601
where: short stacking energy: -71.847
Base-Backbone interact. energy: -0.011
local terms energy: -80.656766
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -214.229790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.229790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.229790 (E_RNA)
where:
Base-Base interactions energy: -139.935
where: short stacking energy: -70.118
Base-Backbone interact. energy: -0.375
local terms energy: -73.919868
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -18.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -203.441171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.441171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.441171 (E_RNA)
where:
Base-Base interactions energy: -127.207
where: short stacking energy: -55.589
Base-Backbone interact. energy: -0.328
local terms energy: -75.906585
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -199.758174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.758174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.758174 (E_RNA)
where:
Base-Base interactions energy: -127.251
where: short stacking energy: -43.699
Base-Backbone interact. energy: -0.003
local terms energy: -72.504367
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -97.316658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.316658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.316658 (E_RNA)
where:
Base-Base interactions energy: -43.287
where: short stacking energy: -29.230
Base-Backbone interact. energy: 0.511
local terms energy: -54.541372
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -3.151
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: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -101.759136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.759136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.759136 (E_RNA)
where:
Base-Base interactions energy: -60.790
where: short stacking energy: -34.207
Base-Backbone interact. energy: 0.021
local terms energy: -40.989389
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -2.164
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: 239
Temperature: 1.250000
Total energy: -99.293433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.293433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.293433 (E_RNA)
where:
Base-Base interactions energy: -47.659
where: short stacking energy: -37.376
Base-Backbone interact. energy: -0.037
local terms energy: -51.598056
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -8.582
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: 239
Temperature: 1.300000
Total energy: -113.758696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.758696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.758696 (E_RNA)
where:
Base-Base interactions energy: -59.397
where: short stacking energy: -31.146
Base-Backbone interact. energy: -0.391
local terms energy: -53.970877
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -7.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -77.302941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.302941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.302941 (E_RNA)
where:
Base-Base interactions energy: -27.884
where: short stacking energy: -20.918
Base-Backbone interact. energy: -0.112
local terms energy: -49.306904
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -2.569
tors. eta vs tors. theta energy: -0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -223.197540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.197540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.197540 (E_RNA)
where:
Base-Base interactions energy: -142.837
where: short stacking energy: -64.732
Base-Backbone interact. energy: -0.003
local terms energy: -80.357400
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -220.761133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.761133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.761133 (E_RNA)
where:
Base-Base interactions energy: -143.815
where: short stacking energy: -65.620
Base-Backbone interact. energy: 0.040
local terms energy: -76.986297
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -211.633188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.633188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.633188 (E_RNA)
where:
Base-Base interactions energy: -132.808
where: short stacking energy: -54.250
Base-Backbone interact. energy: -1.791
local terms energy: -77.034193
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -20.425
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: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -209.967473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.967473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.967473 (E_RNA)
where:
Base-Base interactions energy: -138.344
where: short stacking energy: -63.237
Base-Backbone interact. energy: -0.031
local terms energy: -71.591945
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -206.677900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.677900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.677900 (E_RNA)
where:
Base-Base interactions energy: -133.108
where: short stacking energy: -59.550
Base-Backbone interact. energy: -0.031
local terms energy: -73.538838
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -107.021297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.021297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.021297 (E_RNA)
where:
Base-Base interactions energy: -52.761
where: short stacking energy: -30.729
Base-Backbone interact. energy: -1.299
local terms energy: -52.961055
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -98.441584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.441584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.441584 (E_RNA)
where:
Base-Base interactions energy: -42.900
where: short stacking energy: -32.779
Base-Backbone interact. energy: -0.189
local terms energy: -55.353177
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -89.957965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.957965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.957965 (E_RNA)
where:
Base-Base interactions energy: -32.505
where: short stacking energy: -31.662
Base-Backbone interact. energy: -0.045
local terms energy: -57.407324
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -75.191986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.191986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.191986 (E_RNA)
where:
Base-Base interactions energy: -26.256
where: short stacking energy: -13.732
Base-Backbone interact. energy: -0.100
local terms energy: -48.835882
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -77.130619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.130619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.130619 (E_RNA)
where:
Base-Base interactions energy: -26.231
where: short stacking energy: -26.231
Base-Backbone interact. energy: -0.003
local terms energy: -50.896649
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -5.928
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: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -229.216757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.216757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.216757 (E_RNA)
where:
Base-Base interactions energy: -146.144
where: short stacking energy: -70.187
Base-Backbone interact. energy: -0.605
local terms energy: -82.468121
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -222.392410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.392410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.392410 (E_RNA)
where:
Base-Base interactions energy: -140.108
where: short stacking energy: -63.358
Base-Backbone interact. energy: -0.026
local terms energy: -82.258597
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -217.445172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.445172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.445172 (E_RNA)
where:
Base-Base interactions energy: -144.514
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.240
local terms energy: -72.690583
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -20.821
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: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -215.576921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.576921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.576921 (E_RNA)
where:
Base-Base interactions energy: -143.606
where: short stacking energy: -55.163
Base-Backbone interact. energy: -0.316
local terms energy: -71.655222
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -20.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -196.101310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.101310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.101310 (E_RNA)
where:
Base-Base interactions energy: -128.189
where: short stacking energy: -56.094
Base-Backbone interact. energy: -0.359
local terms energy: -67.553344
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -108.418463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.418463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.418463 (E_RNA)
where:
Base-Base interactions energy: -60.426
where: short stacking energy: -31.951
Base-Backbone interact. energy: 0.343
local terms energy: -48.334977
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -6.840
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: 7, replica: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -96.244616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.244616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.244616 (E_RNA)
where:
Base-Base interactions energy: -41.708
where: short stacking energy: -33.674
Base-Backbone interact. energy: -0.107
local terms energy: -54.429747
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -5.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -123.627196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.627196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.627196 (E_RNA)
where:
Base-Base interactions energy: -67.708
where: short stacking energy: -40.740
Base-Backbone interact. energy: -0.072
local terms energy: -55.846837
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -78.849648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.849648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.849648 (E_RNA)
where:
Base-Base interactions energy: -27.203
where: short stacking energy: -27.203
Base-Backbone interact. energy: -0.168
local terms energy: -51.478719
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -92.815866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.815866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.815866 (E_RNA)
where:
Base-Base interactions energy: -39.251
where: short stacking energy: -23.533
Base-Backbone interact. energy: 0.400
local terms energy: -53.964977
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -225.647121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.647121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.647121 (E_RNA)
where:
Base-Base interactions energy: -144.279
where: short stacking energy: -64.957
Base-Backbone interact. energy: -0.224
local terms energy: -81.144701
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -222.324906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.324906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.324906 (E_RNA)
where:
Base-Base interactions energy: -142.582
where: short stacking energy: -70.437
Base-Backbone interact. energy: -0.005
local terms energy: -79.737982
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -209.286905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.286905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.286905 (E_RNA)
where:
Base-Base interactions energy: -132.294
where: short stacking energy: -62.093
Base-Backbone interact. energy: -1.388
local terms energy: -75.605609
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -204.434937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.434937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.434937 (E_RNA)
where:
Base-Base interactions energy: -140.905
where: short stacking energy: -62.193
Base-Backbone interact. energy: -0.432
local terms energy: -63.097821
where:
bonds (distance) C4'-P energy: -6.643
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -17.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -208.995530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.995530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.995530 (E_RNA)
where:
Base-Base interactions energy: -135.808
where: short stacking energy: -57.092
Base-Backbone interact. energy: -0.002
local terms energy: -73.184915
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -97.765104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.765104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.765104 (E_RNA)
where:
Base-Base interactions energy: -49.775
where: short stacking energy: -24.708
Base-Backbone interact. energy: -0.221
local terms energy: -47.768329
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -8.662
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: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -123.463761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.463761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.463761 (E_RNA)
where:
Base-Base interactions energy: -75.438
where: short stacking energy: -39.279
Base-Backbone interact. energy: -0.013
local terms energy: -48.012904
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -9.935
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: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -85.231805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.231805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.231805 (E_RNA)
where:
Base-Base interactions energy: -51.920
where: short stacking energy: -28.672
Base-Backbone interact. energy: -0.245
local terms energy: -33.066808
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: 4.376
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -73.621894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.621894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.621894 (E_RNA)
where:
Base-Base interactions energy: -22.307
where: short stacking energy: -20.880
Base-Backbone interact. energy: 0.791
local terms energy: -52.105274
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -11.183
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: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -78.424651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.424651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.424651 (E_RNA)
where:
Base-Base interactions energy: -33.918
where: short stacking energy: -29.029
Base-Backbone interact. energy: -0.168
local terms energy: -44.338744
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -5.837
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -226.393370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.393370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.393370 (E_RNA)
where:
Base-Base interactions energy: -148.965
where: short stacking energy: -65.359
Base-Backbone interact. energy: -0.020
local terms energy: -77.408645
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -220.540503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.540503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.540503 (E_RNA)
where:
Base-Base interactions energy: -146.880
where: short stacking energy: -51.559
Base-Backbone interact. energy: -0.261
local terms energy: -73.399462
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -214.877360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.877360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.877360 (E_RNA)
where:
Base-Base interactions energy: -134.644
where: short stacking energy: -63.339
Base-Backbone interact. energy: -0.152
local terms energy: -80.081432
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -19.821
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: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -197.382935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.382935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.382935 (E_RNA)
where:
Base-Base interactions energy: -131.856
where: short stacking energy: -62.715
Base-Backbone interact. energy: -0.217
local terms energy: -65.309385
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -14.209
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: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -202.941354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.941354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.941354 (E_RNA)
where:
Base-Base interactions energy: -142.081
where: short stacking energy: -48.668
Base-Backbone interact. energy: -0.218
local terms energy: -60.642507
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -161.154168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.154168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.154168 (E_RNA)
where:
Base-Base interactions energy: -92.348
where: short stacking energy: -50.029
Base-Backbone interact. energy: -0.085
local terms energy: -68.720628
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -96.261631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.261631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.261631 (E_RNA)
where:
Base-Base interactions energy: -41.033
where: short stacking energy: -22.365
Base-Backbone interact. energy: -0.873
local terms energy: -54.355403
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -81.979943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.979943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.979943 (E_RNA)
where:
Base-Base interactions energy: -37.815
where: short stacking energy: -25.300
Base-Backbone interact. energy: -1.624
local terms energy: -42.540055
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: 3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -86.817245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.817245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.817245 (E_RNA)
where:
Base-Base interactions energy: -39.013
where: short stacking energy: -28.577
Base-Backbone interact. energy: -0.109
local terms energy: -47.694970
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -0.638
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -81.715852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.715852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.715852 (E_RNA)
where:
Base-Base interactions energy: -30.342
where: short stacking energy: -26.989
Base-Backbone interact. energy: -0.102
local terms energy: -51.271948
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -8.495
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: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -213.710444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.710444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.710444 (E_RNA)
where:
Base-Base interactions energy: -141.742
where: short stacking energy: -58.821
Base-Backbone interact. energy: -0.009
local terms energy: -71.959342
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -216.629161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.629161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.629161 (E_RNA)
where:
Base-Base interactions energy: -141.623
where: short stacking energy: -67.832
Base-Backbone interact. energy: -0.387
local terms energy: -74.619171
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -20.560
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: 3, replica: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -203.586920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.586920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.586920 (E_RNA)
where:
Base-Base interactions energy: -126.958
where: short stacking energy: -60.078
Base-Backbone interact. energy: -0.183
local terms energy: -76.445822
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -15.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -210.755312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.755312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.755312 (E_RNA)
where:
Base-Base interactions energy: -132.925
where: short stacking energy: -58.600
Base-Backbone interact. energy: -0.065
local terms energy: -77.765243
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -23.955
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: 5, replica: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -163.179820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.179820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.179820 (E_RNA)
where:
Base-Base interactions energy: -96.446
where: short stacking energy: -50.277
Base-Backbone interact. energy: -0.362
local terms energy: -66.371933
where:
bonds (distance) C4'-P energy: -5.438
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -182.843683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.843683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.843683 (E_RNA)
where:
Base-Base interactions energy: -125.186
where: short stacking energy: -50.819
Base-Backbone interact. energy: -0.010
local terms energy: -57.647762
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -93.698501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.698501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.698501 (E_RNA)
where:
Base-Base interactions energy: -48.350
where: short stacking energy: -33.592
Base-Backbone interact. energy: 1.050
local terms energy: -46.399248
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -7.573
flat angles P-C4'-P energy: -3.449
tors. eta vs tors. theta energy: -7.226
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: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -82.656211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.656211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.656211 (E_RNA)
where:
Base-Base interactions energy: -30.046
where: short stacking energy: -25.580
Base-Backbone interact. energy: 0.568
local terms energy: -53.177589
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -95.615408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.615408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.615408 (E_RNA)
where:
Base-Base interactions energy: -38.971
where: short stacking energy: -36.631
Base-Backbone interact. energy: -0.482
local terms energy: -56.162546
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -78.543667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.543667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.543667 (E_RNA)
where:
Base-Base interactions energy: -20.627
where: short stacking energy: -20.627
Base-Backbone interact. energy: -0.045
local terms energy: -57.871263
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -10.937
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: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -210.861504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.861504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.861504 (E_RNA)
where:
Base-Base interactions energy: -136.434
where: short stacking energy: -49.231
Base-Backbone interact. energy: -0.315
local terms energy: -74.112529
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -16.598
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: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -216.955709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.955709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.955709 (E_RNA)
where:
Base-Base interactions energy: -142.997
where: short stacking energy: -56.568
Base-Backbone interact. energy: -0.029
local terms energy: -73.930232
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -207.204731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.204731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.204731 (E_RNA)
where:
Base-Base interactions energy: -130.757
where: short stacking energy: -52.348
Base-Backbone interact. energy: 0.087
local terms energy: -76.534471
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -214.754859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.754859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.754859 (E_RNA)
where:
Base-Base interactions energy: -144.378
where: short stacking energy: -61.598
Base-Backbone interact. energy: -0.315
local terms energy: -70.061853
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -16.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -155.426134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.426134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.426134 (E_RNA)
where:
Base-Base interactions energy: -92.205
where: short stacking energy: -46.091
Base-Backbone interact. energy: -0.502
local terms energy: -62.718481
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -8.466
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: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -191.016356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.016356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.016356 (E_RNA)
where:
Base-Base interactions energy: -127.165
where: short stacking energy: -57.889
Base-Backbone interact. energy: 3.753
local terms energy: -67.604066
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -87.583127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.583127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.583127 (E_RNA)
where:
Base-Base interactions energy: -36.482
where: short stacking energy: -31.775
Base-Backbone interact. energy: 0.075
local terms energy: -51.176448
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -81.293400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.293400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.293400 (E_RNA)
where:
Base-Base interactions energy: -36.606
where: short stacking energy: -31.652
Base-Backbone interact. energy: -0.074
local terms energy: -44.613551
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -76.060248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.060248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.060248 (E_RNA)
where:
Base-Base interactions energy: -25.373
where: short stacking energy: -22.057
Base-Backbone interact. energy: -0.534
local terms energy: -50.153919
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -2.144
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: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -75.928486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.928486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.928486 (E_RNA)
where:
Base-Base interactions energy: -28.186
where: short stacking energy: -27.729
Base-Backbone interact. energy: -0.144
local terms energy: -47.598869
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: 0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -222.881487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.881487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.881487 (E_RNA)
where:
Base-Base interactions energy: -146.930
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.055
local terms energy: -75.896007
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -217.897353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.897353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.897353 (E_RNA)
where:
Base-Base interactions energy: -141.786
where: short stacking energy: -69.486
Base-Backbone interact. energy: -1.136
local terms energy: -74.975221
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -214.143050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.143050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.143050 (E_RNA)
where:
Base-Base interactions energy: -145.336
where: short stacking energy: -51.022
Base-Backbone interact. energy: -0.189
local terms energy: -68.617604
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -12.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -215.675400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.675400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.675400 (E_RNA)
where:
Base-Base interactions energy: -140.597
where: short stacking energy: -69.198
Base-Backbone interact. energy: -0.549
local terms energy: -74.528552
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -201.069409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.069409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.069409 (E_RNA)
where:
Base-Base interactions energy: -129.416
where: short stacking energy: -56.179
Base-Backbone interact. energy: -0.065
local terms energy: -71.588454
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -17.458
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: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -150.463414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.463414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.463414 (E_RNA)
where:
Base-Base interactions energy: -92.471
where: short stacking energy: -47.707
Base-Backbone interact. energy: 0.709
local terms energy: -58.702111
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -10.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -84.367126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.367126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.367126 (E_RNA)
where:
Base-Base interactions energy: -33.828
where: short stacking energy: -32.109
Base-Backbone interact. energy: -0.219
local terms energy: -50.319867
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -94.750539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.750539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.750539 (E_RNA)
where:
Base-Base interactions energy: -39.721
where: short stacking energy: -29.424
Base-Backbone interact. energy: 0.434
local terms energy: -55.463553
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -7.544
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: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -93.520613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.520613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.520613 (E_RNA)
where:
Base-Base interactions energy: -37.933
where: short stacking energy: -28.741
Base-Backbone interact. energy: 0.940
local terms energy: -56.527581
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -6.955
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: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -76.777783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.777783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.777783 (E_RNA)
where:
Base-Base interactions energy: -24.670
where: short stacking energy: -23.796
Base-Backbone interact. energy: -0.645
local terms energy: -51.463025
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -228.863597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.863597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.863597 (E_RNA)
where:
Base-Base interactions energy: -151.286
where: short stacking energy: -61.765
Base-Backbone interact. energy: -0.471
local terms energy: -77.106623
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -201.785038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.785038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.785038 (E_RNA)
where:
Base-Base interactions energy: -137.972
where: short stacking energy: -57.520
Base-Backbone interact. energy: -0.089
local terms energy: -63.724708
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -8.244
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: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -214.024720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.024720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.024720 (E_RNA)
where:
Base-Base interactions energy: -143.843
where: short stacking energy: -59.608
Base-Backbone interact. energy: -0.055
local terms energy: -70.126909
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -14.693
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: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -207.588558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.588558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.588558 (E_RNA)
where:
Base-Base interactions energy: -137.888
where: short stacking energy: -59.089
Base-Backbone interact. energy: -0.267
local terms energy: -69.433863
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -19.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -180.185158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.185158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.185158 (E_RNA)
where:
Base-Base interactions energy: -113.960
where: short stacking energy: -52.886
Base-Backbone interact. energy: -0.101
local terms energy: -66.123956
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -13.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -107.026850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.026850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.026850 (E_RNA)
where:
Base-Base interactions energy: -49.017
where: short stacking energy: -25.885
Base-Backbone interact. energy: 0.555
local terms energy: -58.565302
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -151.578140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.578140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.578140 (E_RNA)
where:
Base-Base interactions energy: -88.248
where: short stacking energy: -32.617
Base-Backbone interact. energy: -0.708
local terms energy: -62.622001
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -90.213412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.213412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.213412 (E_RNA)
where:
Base-Base interactions energy: -33.487
where: short stacking energy: -30.913
Base-Backbone interact. energy: -0.215
local terms energy: -56.511340
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -81.147140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.147140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.147140 (E_RNA)
where:
Base-Base interactions energy: -27.277
where: short stacking energy: -17.670
Base-Backbone interact. energy: 0.126
local terms energy: -53.996051
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -80.413067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.413067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.413067 (E_RNA)
where:
Base-Base interactions energy: -28.450
where: short stacking energy: -25.706
Base-Backbone interact. energy: -0.286
local terms energy: -51.676867
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -8.199
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: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -224.909486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.909486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.909486 (E_RNA)
where:
Base-Base interactions energy: -148.654
where: short stacking energy: -67.099
Base-Backbone interact. energy: -0.029
local terms energy: -76.226133
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -213.116552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.116552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.116552 (E_RNA)
where:
Base-Base interactions energy: -143.173
where: short stacking energy: -51.276
Base-Backbone interact. energy: -0.545
local terms energy: -69.398284
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -210.435122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.435122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.435122 (E_RNA)
where:
Base-Base interactions energy: -140.360
where: short stacking energy: -58.156
Base-Backbone interact. energy: -0.116
local terms energy: -69.959356
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -208.281600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.281600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.281600 (E_RNA)
where:
Base-Base interactions energy: -138.296
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.045
local terms energy: -69.940927
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -187.162110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.162110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.162110 (E_RNA)
where:
Base-Base interactions energy: -120.410
where: short stacking energy: -47.293
Base-Backbone interact. energy: -0.056
local terms energy: -66.696188
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -13.809
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: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -144.229047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.229047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.229047 (E_RNA)
where:
Base-Base interactions energy: -90.199
where: short stacking energy: -39.949
Base-Backbone interact. energy: -0.052
local terms energy: -53.977723
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -159.415109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.415109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.415109 (E_RNA)
where:
Base-Base interactions energy: -93.257
where: short stacking energy: -44.871
Base-Backbone interact. energy: -0.579
local terms energy: -65.579507
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -81.395514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.395514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.395514 (E_RNA)
where:
Base-Base interactions energy: -29.329
where: short stacking energy: -28.548
Base-Backbone interact. energy: -0.366
local terms energy: -51.700139
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -83.902656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.902656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.902656 (E_RNA)
where:
Base-Base interactions energy: -32.969
where: short stacking energy: -26.805
Base-Backbone interact. energy: 0.119
local terms energy: -51.052354
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -10.229
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: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -76.863880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.863880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.863880 (E_RNA)
where:
Base-Base interactions energy: -37.979
where: short stacking energy: -22.335
Base-Backbone interact. energy: 0.221
local terms energy: -39.106082
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -5.209
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -1.976
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: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -225.504413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.504413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.504413 (E_RNA)
where:
Base-Base interactions energy: -148.733
where: short stacking energy: -65.855
Base-Backbone interact. energy: -0.139
local terms energy: -76.632411
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -9.883
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -21.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -227.948422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.948422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.948422 (E_RNA)
where:
Base-Base interactions energy: -166.204
where: short stacking energy: -56.678
Base-Backbone interact. energy: -0.548
local terms energy: -61.196057
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -205.129002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.129002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.129002 (E_RNA)
where:
Base-Base interactions energy: -139.967
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.018
local terms energy: -65.143607
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -15.643
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: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -210.500871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.500871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.500871 (E_RNA)
where:
Base-Base interactions energy: -147.546
where: short stacking energy: -51.891
Base-Backbone interact. energy: -0.121
local terms energy: -62.834005
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -198.802892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.802892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.802892 (E_RNA)
where:
Base-Base interactions energy: -124.387
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.297
local terms energy: -74.118231
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -156.855605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.855605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.855605 (E_RNA)
where:
Base-Base interactions energy: -93.939
where: short stacking energy: -51.633
Base-Backbone interact. energy: -0.011
local terms energy: -62.906005
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -153.474730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.474730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.474730 (E_RNA)
where:
Base-Base interactions energy: -101.472
where: short stacking energy: -38.482
Base-Backbone interact. energy: 0.087
local terms energy: -52.090019
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -9.580
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: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -80.823195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.823195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.823195 (E_RNA)
where:
Base-Base interactions energy: -29.370
where: short stacking energy: -16.171
Base-Backbone interact. energy: -0.009
local terms energy: -51.444161
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -8.929
flat angles P-C4'-P energy: -6.666
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: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -88.848414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.848414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.848414 (E_RNA)
where:
Base-Base interactions energy: -36.707
where: short stacking energy: -32.148
Base-Backbone interact. energy: -0.021
local terms energy: -52.120782
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -81.646783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.646783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.646783 (E_RNA)
where:
Base-Base interactions energy: -28.160
where: short stacking energy: -24.682
Base-Backbone interact. energy: -0.707
local terms energy: -52.780189
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -237.904538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.904538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.904538 (E_RNA)
where:
Base-Base interactions energy: -168.557
where: short stacking energy: -59.121
Base-Backbone interact. energy: -0.084
local terms energy: -69.264007
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -11.712
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: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -214.420590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.420590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.420590 (E_RNA)
where:
Base-Base interactions energy: -144.803
where: short stacking energy: -61.668
Base-Backbone interact. energy: -0.099
local terms energy: -69.517992
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -216.919659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.919659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.919659 (E_RNA)
where:
Base-Base interactions energy: -140.097
where: short stacking energy: -62.523
Base-Backbone interact. energy: -0.712
local terms energy: -76.110480
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -196.908698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.908698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.908698 (E_RNA)
where:
Base-Base interactions energy: -125.563
where: short stacking energy: -48.449
Base-Backbone interact. energy: -0.264
local terms energy: -71.081146
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -14.700
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: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -199.948996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.948996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.948996 (E_RNA)
where:
Base-Base interactions energy: -133.174
where: short stacking energy: -51.532
Base-Backbone interact. energy: -0.772
local terms energy: -66.002889
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -154.219738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.219738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.219738 (E_RNA)
where:
Base-Base interactions energy: -85.219
where: short stacking energy: -46.058
Base-Backbone interact. energy: -0.243
local terms energy: -68.757385
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -12.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -118.147018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.147018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.147018 (E_RNA)
where:
Base-Base interactions energy: -74.202
where: short stacking energy: -32.410
Base-Backbone interact. energy: -0.870
local terms energy: -43.075496
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -0.154
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: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -84.712726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.712726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.712726 (E_RNA)
where:
Base-Base interactions energy: -31.553
where: short stacking energy: -31.553
Base-Backbone interact. energy: -0.124
local terms energy: -53.036192
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -86.305713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.305713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.305713 (E_RNA)
where:
Base-Base interactions energy: -36.961
where: short stacking energy: -22.964
Base-Backbone interact. energy: -0.459
local terms energy: -48.885733
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: 0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -85.264691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.264691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.264691 (E_RNA)
where:
Base-Base interactions energy: -38.947
where: short stacking energy: -38.947
Base-Backbone interact. energy: -0.309
local terms energy: -46.008291
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -3.051
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: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -226.566608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.566608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.566608 (E_RNA)
where:
Base-Base interactions energy: -154.463
where: short stacking energy: -65.903
Base-Backbone interact. energy: -0.486
local terms energy: -71.618354
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -16.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -219.885448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.885448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.885448 (E_RNA)
where:
Base-Base interactions energy: -144.161
where: short stacking energy: -64.974
Base-Backbone interact. energy: -0.037
local terms energy: -75.687233
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -20.937
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: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -216.814374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.814374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.814374 (E_RNA)
where:
Base-Base interactions energy: -140.016
where: short stacking energy: -73.258
Base-Backbone interact. energy: -0.028
local terms energy: -76.769894
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -19.066
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: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -191.825853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.825853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.825853 (E_RNA)
where:
Base-Base interactions energy: -131.086
where: short stacking energy: -48.495
Base-Backbone interact. energy: -0.323
local terms energy: -60.416789
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -13.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -198.501247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.501247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.501247 (E_RNA)
where:
Base-Base interactions energy: -152.481
where: short stacking energy: -54.791
Base-Backbone interact. energy: -0.332
local terms energy: -45.688256
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -6.751
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -10.184
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: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -132.152660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.152660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.152660 (E_RNA)
where:
Base-Base interactions energy: -80.189
where: short stacking energy: -41.321
Base-Backbone interact. energy: -0.289
local terms energy: -51.675272
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -7.519
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: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -90.792894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.792894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.792894 (E_RNA)
where:
Base-Base interactions energy: -33.128
where: short stacking energy: -33.128
Base-Backbone interact. energy: -0.067
local terms energy: -57.597921
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -81.722778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.722778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.722778 (E_RNA)
where:
Base-Base interactions energy: -38.934
where: short stacking energy: -27.023
Base-Backbone interact. energy: 2.447
local terms energy: -45.235875
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: 1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -80.821848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.821848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.821848 (E_RNA)
where:
Base-Base interactions energy: -36.196
where: short stacking energy: -30.086
Base-Backbone interact. energy: -0.089
local terms energy: -44.536733
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -6.335
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: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -80.401925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.401925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.401925 (E_RNA)
where:
Base-Base interactions energy: -34.080
where: short stacking energy: -31.549
Base-Backbone interact. energy: -0.240
local terms energy: -46.081997
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -4.950
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -213.767392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.767392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.767392 (E_RNA)
where:
Base-Base interactions energy: -144.778
where: short stacking energy: -51.230
Base-Backbone interact. energy: -0.074
local terms energy: -68.915597
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -13.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -222.869522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.869522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.869522 (E_RNA)
where:
Base-Base interactions energy: -144.078
where: short stacking energy: -72.694
Base-Backbone interact. energy: -0.005
local terms energy: -78.786472
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -19.880
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: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -215.556779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.556779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.556779 (E_RNA)
where:
Base-Base interactions energy: -143.404
where: short stacking energy: -72.051
Base-Backbone interact. energy: -0.122
local terms energy: -72.030762
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -19.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -199.928691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.928691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.928691 (E_RNA)
where:
Base-Base interactions energy: -135.786
where: short stacking energy: -58.335
Base-Backbone interact. energy: -0.157
local terms energy: -63.986027
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -201.819023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.819023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.819023 (E_RNA)
where:
Base-Base interactions energy: -148.194
where: short stacking energy: -51.467
Base-Backbone interact. energy: 0.899
local terms energy: -54.523429
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -9.435
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: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -97.067219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.067219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.067219 (E_RNA)
where:
Base-Base interactions energy: -39.028
where: short stacking energy: -37.752
Base-Backbone interact. energy: -0.127
local terms energy: -57.911657
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -7.323
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: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -84.823710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.823710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.823710 (E_RNA)
where:
Base-Base interactions energy: -26.831
where: short stacking energy: -26.831
Base-Backbone interact. energy: -0.122
local terms energy: -57.870801
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -97.797611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.797611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.797611 (E_RNA)
where:
Base-Base interactions energy: -47.659
where: short stacking energy: -19.658
Base-Backbone interact. energy: -0.235
local terms energy: -49.904516
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -80.686070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.686070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.686070 (E_RNA)
where:
Base-Base interactions energy: -26.569
where: short stacking energy: -19.243
Base-Backbone interact. energy: -0.175
local terms energy: -53.942031
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -4.342
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: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -72.339148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.339148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.339148 (E_RNA)
where:
Base-Base interactions energy: -24.133
where: short stacking energy: -17.910
Base-Backbone interact. energy: 3.650
local terms energy: -51.856824
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -224.175066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.175066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.175066 (E_RNA)
where:
Base-Base interactions energy: -154.878
where: short stacking energy: -62.655
Base-Backbone interact. energy: -0.003
local terms energy: -69.294258
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -15.256
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: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -229.528040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.528040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.528040 (E_RNA)
where:
Base-Base interactions energy: -148.556
where: short stacking energy: -69.453
Base-Backbone interact. energy: -0.010
local terms energy: -80.962189
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -215.955286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.955286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.955286 (E_RNA)
where:
Base-Base interactions energy: -136.566
where: short stacking energy: -66.923
Base-Backbone interact. energy: -0.402
local terms energy: -78.987012
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -20.320
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: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -188.515409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.515409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.515409 (E_RNA)
where:
Base-Base interactions energy: -132.942
where: short stacking energy: -54.854
Base-Backbone interact. energy: -0.099
local terms energy: -55.473497
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -7.918
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -179.985515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.985515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.985515 (E_RNA)
where:
Base-Base interactions energy: -124.116
where: short stacking energy: -48.961
Base-Backbone interact. energy: -0.179
local terms energy: -55.690304
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -8.443
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: 253
Temperature: 1.150000
Total energy: -95.433788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.433788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.433788 (E_RNA)
where:
Base-Base interactions energy: -50.324
where: short stacking energy: -30.015
Base-Backbone interact. energy: -0.156
local terms energy: -44.954587
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: 0.312
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: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -102.257813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.257813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.257813 (E_RNA)
where:
Base-Base interactions energy: -53.071
where: short stacking energy: -28.525
Base-Backbone interact. energy: -0.145
local terms energy: -49.041456
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -11.217
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: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -83.501041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.501041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.501041 (E_RNA)
where:
Base-Base interactions energy: -26.801
where: short stacking energy: -26.801
Base-Backbone interact. energy: -0.158
local terms energy: -56.541704
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -76.358264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.358264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.358264 (E_RNA)
where:
Base-Base interactions energy: -36.616
where: short stacking energy: -20.336
Base-Backbone interact. energy: -0.200
local terms energy: -39.542424
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -6.639
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: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -78.880477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.880477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.880477 (E_RNA)
where:
Base-Base interactions energy: -28.701
where: short stacking energy: -18.953
Base-Backbone interact. energy: 0.625
local terms energy: -50.804701
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: 0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -226.074381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.074381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.074381 (E_RNA)
where:
Base-Base interactions energy: -153.409
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.019
local terms energy: -72.646270
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -222.688867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.688867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.688867 (E_RNA)
where:
Base-Base interactions energy: -147.005
where: short stacking energy: -67.646
Base-Backbone interact. energy: -0.038
local terms energy: -75.646052
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -219.504464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.504464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.504464 (E_RNA)
where:
Base-Base interactions energy: -140.065
where: short stacking energy: -64.485
Base-Backbone interact. energy: -0.016
local terms energy: -79.423556
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -201.013748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.013748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.013748 (E_RNA)
where:
Base-Base interactions energy: -128.387
where: short stacking energy: -61.343
Base-Backbone interact. energy: -0.011
local terms energy: -72.615172
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -195.544866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.544866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.544866 (E_RNA)
where:
Base-Base interactions energy: -133.468
where: short stacking energy: -50.553
Base-Backbone interact. energy: -0.632
local terms energy: -61.445121
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -6.602
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: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -83.734611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.734611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.734611 (E_RNA)
where:
Base-Base interactions energy: -38.176
where: short stacking energy: -31.499
Base-Backbone interact. energy: -0.259
local terms energy: -45.300023
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: 1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -89.538126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.538126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.538126 (E_RNA)
where:
Base-Base interactions energy: -42.265
where: short stacking energy: -27.822
Base-Backbone interact. energy: 0.040
local terms energy: -47.312733
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -83.469531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.469531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.469531 (E_RNA)
where:
Base-Base interactions energy: -33.339
where: short stacking energy: -26.112
Base-Backbone interact. energy: 0.149
local terms energy: -50.279855
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -83.160406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.160406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.160406 (E_RNA)
where:
Base-Base interactions energy: -32.483
where: short stacking energy: -32.483
Base-Backbone interact. energy: -0.108
local terms energy: -50.569417
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -83.942832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.942832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.942832 (E_RNA)
where:
Base-Base interactions energy: -39.376
where: short stacking energy: -34.519
Base-Backbone interact. energy: -0.151
local terms energy: -44.415839
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -1.792
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: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -229.575557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.575557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.575557 (E_RNA)
where:
Base-Base interactions energy: -161.579
where: short stacking energy: -56.951
Base-Backbone interact. energy: -0.032
local terms energy: -67.964148
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -14.797
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: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -228.476281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.476281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.476281 (E_RNA)
where:
Base-Base interactions energy: -151.878
where: short stacking energy: -57.819
Base-Backbone interact. energy: -0.067
local terms energy: -76.531162
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -220.177658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.177658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.177658 (E_RNA)
where:
Base-Base interactions energy: -140.735
where: short stacking energy: -72.318
Base-Backbone interact. energy: -0.017
local terms energy: -79.426069
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -214.580300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.580300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.580300 (E_RNA)
where:
Base-Base interactions energy: -145.192
where: short stacking energy: -61.056
Base-Backbone interact. energy: -0.164
local terms energy: -69.223465
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -17.002
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: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -190.390482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.390482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.390482 (E_RNA)
where:
Base-Base interactions energy: -130.190
where: short stacking energy: -45.044
Base-Backbone interact. energy: -0.034
local terms energy: -60.165669
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -98.968643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.968643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.968643 (E_RNA)
where:
Base-Base interactions energy: -54.254
where: short stacking energy: -39.340
Base-Backbone interact. energy: -0.261
local terms energy: -44.454335
where:
bonds (distance) C4'-P energy: -7.711
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -9.412
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: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -99.729204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.729204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.729204 (E_RNA)
where:
Base-Base interactions energy: -45.734
where: short stacking energy: -28.973
Base-Backbone interact. energy: -0.264
local terms energy: -53.731439
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -73.016402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.016402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.016402 (E_RNA)
where:
Base-Base interactions energy: -25.102
where: short stacking energy: -20.495
Base-Backbone interact. energy: -1.900
local terms energy: -46.014072
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -76.583863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.583863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.583863 (E_RNA)
where:
Base-Base interactions energy: -28.668
where: short stacking energy: -16.201
Base-Backbone interact. energy: -1.403
local terms energy: -46.513387
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -9.518
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: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -80.034593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.034593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.034593 (E_RNA)
where:
Base-Base interactions energy: -32.975
where: short stacking energy: -27.328
Base-Backbone interact. energy: 1.335
local terms energy: -48.394521
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -225.448175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.448175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.448175 (E_RNA)
where:
Base-Base interactions energy: -153.164
where: short stacking energy: -65.780
Base-Backbone interact. energy: -0.036
local terms energy: -72.248436
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -227.145638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.145638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.145638 (E_RNA)
where:
Base-Base interactions energy: -153.297
where: short stacking energy: -55.895
Base-Backbone interact. energy: -0.078
local terms energy: -73.770867
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -213.261778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.261778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.261778 (E_RNA)
where:
Base-Base interactions energy: -142.630
where: short stacking energy: -58.691
Base-Backbone interact. energy: -0.163
local terms energy: -70.468410
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -218.217942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.217942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.217942 (E_RNA)
where:
Base-Base interactions energy: -143.471
where: short stacking energy: -64.906
Base-Backbone interact. energy: -0.131
local terms energy: -74.616074
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -19.426
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: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -189.934952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.934952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.934952 (E_RNA)
where:
Base-Base interactions energy: -125.832
where: short stacking energy: -44.106
Base-Backbone interact. energy: -0.123
local terms energy: -63.980271
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -96.429470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.429470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.429470 (E_RNA)
where:
Base-Base interactions energy: -35.522
where: short stacking energy: -35.198
Base-Backbone interact. energy: -0.108
local terms energy: -60.799914
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -84.390498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.390498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.390498 (E_RNA)
where:
Base-Base interactions energy: -29.406
where: short stacking energy: -29.224
Base-Backbone interact. energy: 0.243
local terms energy: -55.227184
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -79.813452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.813452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.813452 (E_RNA)
where:
Base-Base interactions energy: -36.028
where: short stacking energy: -33.666
Base-Backbone interact. energy: -0.005
local terms energy: -43.780877
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -7.939
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -7.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -77.743751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.743751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.743751 (E_RNA)
where:
Base-Base interactions energy: -26.068
where: short stacking energy: -19.336
Base-Backbone interact. energy: -0.395
local terms energy: -51.281529
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -78.446277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.446277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.446277 (E_RNA)
where:
Base-Base interactions energy: -33.576
where: short stacking energy: -32.675
Base-Backbone interact. energy: 0.744
local terms energy: -45.614297
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -230.203889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.203889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.203889 (E_RNA)
where:
Base-Base interactions energy: -148.718
where: short stacking energy: -64.999
Base-Backbone interact. energy: 0.396
local terms energy: -81.881070
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -216.983664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.983664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.983664 (E_RNA)
where:
Base-Base interactions energy: -154.418
where: short stacking energy: -62.316
Base-Backbone interact. energy: -0.118
local terms energy: -62.447559
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -7.712
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -217.454026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.454026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.454026 (E_RNA)
where:
Base-Base interactions energy: -144.940
where: short stacking energy: -54.201
Base-Backbone interact. energy: -0.636
local terms energy: -71.878376
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -16.774
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: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -173.265187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.265187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.265187 (E_RNA)
where:
Base-Base interactions energy: -117.736
where: short stacking energy: -43.724
Base-Backbone interact. energy: -0.144
local terms energy: -55.385314
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -9.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -209.305590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.305590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.305590 (E_RNA)
where:
Base-Base interactions energy: -137.134
where: short stacking energy: -60.685
Base-Backbone interact. energy: -0.027
local terms energy: -72.144089
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -100.908127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.908127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.908127 (E_RNA)
where:
Base-Base interactions energy: -41.599
where: short stacking energy: -29.243
Base-Backbone interact. energy: -0.376
local terms energy: -58.933104
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -91.835412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.835412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.835412 (E_RNA)
where:
Base-Base interactions energy: -37.599
where: short stacking energy: -26.302
Base-Backbone interact. energy: -0.532
local terms energy: -53.704299
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -7.904
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: 8, replica: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -81.221772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.221772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.221772 (E_RNA)
where:
Base-Base interactions energy: -32.150
where: short stacking energy: -29.970
Base-Backbone interact. energy: -0.074
local terms energy: -48.997043
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -7.150
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: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -91.815455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.815455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.815455 (E_RNA)
where:
Base-Base interactions energy: -44.003
where: short stacking energy: -27.731
Base-Backbone interact. energy: -0.582
local terms energy: -47.230369
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -1.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -74.621867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.621867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.621867 (E_RNA)
where:
Base-Base interactions energy: -22.023
where: short stacking energy: -22.023
Base-Backbone interact. energy: -0.171
local terms energy: -52.427943
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -7.326
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: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -220.688995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.688995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.688995 (E_RNA)
where:
Base-Base interactions energy: -150.407
where: short stacking energy: -68.865
Base-Backbone interact. energy: -0.797
local terms energy: -69.484666
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -215.187285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.187285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.187285 (E_RNA)
where:
Base-Base interactions energy: -137.852
where: short stacking energy: -61.209
Base-Backbone interact. energy: -0.018
local terms energy: -77.317365
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -213.673367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.673367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.673367 (E_RNA)
where:
Base-Base interactions energy: -153.181
where: short stacking energy: -56.831
Base-Backbone interact. energy: -0.044
local terms energy: -60.449045
where:
bonds (distance) C4'-P energy: -8.380
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -12.436
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: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -175.269109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.269109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.269109 (E_RNA)
where:
Base-Base interactions energy: -106.879
where: short stacking energy: -51.027
Base-Backbone interact. energy: -0.095
local terms energy: -68.295061
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -187.480477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.480477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.480477 (E_RNA)
where:
Base-Base interactions energy: -124.976
where: short stacking energy: -51.439
Base-Backbone interact. energy: -0.523
local terms energy: -61.981867
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -5.797
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: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -90.376056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.376056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.376056 (E_RNA)
where:
Base-Base interactions energy: -35.725
where: short stacking energy: -25.570
Base-Backbone interact. energy: 0.001
local terms energy: -54.651553
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -94.531274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.531274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.531274 (E_RNA)
where:
Base-Base interactions energy: -40.421
where: short stacking energy: -39.684
Base-Backbone interact. energy: -0.016
local terms energy: -54.094399
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -7.239
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: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -97.511077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.511077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.511077 (E_RNA)
where:
Base-Base interactions energy: -34.468
where: short stacking energy: -34.302
Base-Backbone interact. energy: 0.052
local terms energy: -63.094958
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -81.843743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.843743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.843743 (E_RNA)
where:
Base-Base interactions energy: -25.244
where: short stacking energy: -18.313
Base-Backbone interact. energy: -0.196
local terms energy: -56.403745
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -93.873598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.873598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.873598 (E_RNA)
where:
Base-Base interactions energy: -45.045
where: short stacking energy: -28.133
Base-Backbone interact. energy: -1.427
local terms energy: -47.401334
where:
bonds (distance) C4'-P energy: -7.716
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -10.244
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: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -221.464333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.464333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.464333 (E_RNA)
where:
Base-Base interactions energy: -143.732
where: short stacking energy: -67.335
Base-Backbone interact. energy: -0.517
local terms energy: -77.214588
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -18.769
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: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -224.487041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.487041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.487041 (E_RNA)
where:
Base-Base interactions energy: -147.408
where: short stacking energy: -64.115
Base-Backbone interact. energy: -0.305
local terms energy: -76.773906
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -210.773554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.773554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.773554 (E_RNA)
where:
Base-Base interactions energy: -151.086
where: short stacking energy: -57.669
Base-Backbone interact. energy: -0.028
local terms energy: -59.660416
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -195.623840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.623840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.623840 (E_RNA)
where:
Base-Base interactions energy: -126.462
where: short stacking energy: -53.996
Base-Backbone interact. energy: -0.122
local terms energy: -69.039889
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -9.921
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -170.683958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.683958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.683958 (E_RNA)
where:
Base-Base interactions energy: -100.599
where: short stacking energy: -50.173
Base-Backbone interact. energy: -0.445
local terms energy: -69.639235
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -13.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -97.772834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.772834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.772834 (E_RNA)
where:
Base-Base interactions energy: -40.413
where: short stacking energy: -40.413
Base-Backbone interact. energy: -0.002
local terms energy: -57.357682
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -97.129991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.129991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.129991 (E_RNA)
where:
Base-Base interactions energy: -43.829
where: short stacking energy: -43.829
Base-Backbone interact. energy: -0.879
local terms energy: -52.421990
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -8.316
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: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -88.019420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.019420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.019420 (E_RNA)
where:
Base-Base interactions energy: -34.664
where: short stacking energy: -31.350
Base-Backbone interact. energy: -0.112
local terms energy: -53.243443
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -9.980
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: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -99.062291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.062291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.062291 (E_RNA)
where:
Base-Base interactions energy: -36.886
where: short stacking energy: -36.886
Base-Backbone interact. energy: -0.066
local terms energy: -62.109998
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -8.600
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: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -70.745438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.745438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.745438 (E_RNA)
where:
Base-Base interactions energy: -29.797
where: short stacking energy: -16.383
Base-Backbone interact. energy: -0.374
local terms energy: -40.574347
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: 5.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -224.891014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.891014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.891014 (E_RNA)
where:
Base-Base interactions energy: -138.107
where: short stacking energy: -70.149
Base-Backbone interact. energy: -0.006
local terms energy: -86.778417
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -22.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -220.298099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.298099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.298099 (E_RNA)
where:
Base-Base interactions energy: -150.460
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.054
local terms energy: -69.784001
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -214.189122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.189122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.189122 (E_RNA)
where:
Base-Base interactions energy: -144.790
where: short stacking energy: -54.378
Base-Backbone interact. energy: -0.007
local terms energy: -69.391679
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -14.559
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: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -215.586279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.586279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.586279 (E_RNA)
where:
Base-Base interactions energy: -136.579
where: short stacking energy: -69.677
Base-Backbone interact. energy: -0.075
local terms energy: -78.932003
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -154.489676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.489676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.489676 (E_RNA)
where:
Base-Base interactions energy: -95.590
where: short stacking energy: -56.412
Base-Backbone interact. energy: -0.031
local terms energy: -58.869433
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -123.559937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.559937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.559937 (E_RNA)
where:
Base-Base interactions energy: -67.028
where: short stacking energy: -35.800
Base-Backbone interact. energy: -0.467
local terms energy: -56.065445
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -4.561
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: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -85.608451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.608451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.608451 (E_RNA)
where:
Base-Base interactions energy: -27.802
where: short stacking energy: -27.802
Base-Backbone interact. energy: -0.033
local terms energy: -57.773779
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -87.447633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.447633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.447633 (E_RNA)
where:
Base-Base interactions energy: -28.063
where: short stacking energy: -23.486
Base-Backbone interact. energy: -0.461
local terms energy: -58.923947
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -87.298377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.298377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.298377 (E_RNA)
where:
Base-Base interactions energy: -41.482
where: short stacking energy: -18.840
Base-Backbone interact. energy: -0.393
local terms energy: -45.423427
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -4.236
tors. eta vs tors. theta energy: -2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -73.542244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.542244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.542244 (E_RNA)
where:
Base-Base interactions energy: -37.641
where: short stacking energy: -21.312
Base-Backbone interact. energy: 0.992
local terms energy: -36.893016
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -7.409
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: 2.226
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: 261
Temperature: 0.900000
Total energy: -225.129019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.129019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.129019 (E_RNA)
where:
Base-Base interactions energy: -147.168
where: short stacking energy: -67.512
Base-Backbone interact. energy: -0.013
local terms energy: -77.947773
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -216.534390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.534390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.534390 (E_RNA)
where:
Base-Base interactions energy: -144.136
where: short stacking energy: -50.417
Base-Backbone interact. energy: 0.124
local terms energy: -72.522084
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -15.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -229.608178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.608178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.608178 (E_RNA)
where:
Base-Base interactions energy: -153.781
where: short stacking energy: -65.509
Base-Backbone interact. energy: -0.020
local terms energy: -75.806791
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -215.677931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.677931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.677931 (E_RNA)
where:
Base-Base interactions energy: -137.609
where: short stacking energy: -63.410
Base-Backbone interact. energy: -0.028
local terms energy: -78.041623
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -156.537436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.537436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.537436 (E_RNA)
where:
Base-Base interactions energy: -97.709
where: short stacking energy: -50.792
Base-Backbone interact. energy: 2.393
local terms energy: -61.221715
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -10.741
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: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -125.317188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.317188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.317188 (E_RNA)
where:
Base-Base interactions energy: -72.238
where: short stacking energy: -31.791
Base-Backbone interact. energy: 0.786
local terms energy: -53.865087
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -82.709860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.709860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.709860 (E_RNA)
where:
Base-Base interactions energy: -37.314
where: short stacking energy: -37.314
Base-Backbone interact. energy: 1.036
local terms energy: -46.432231
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -86.355540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.355540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.355540 (E_RNA)
where:
Base-Base interactions energy: -45.131
where: short stacking energy: -28.829
Base-Backbone interact. energy: -0.255
local terms energy: -40.969793
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: 3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -77.155002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.155002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.155002 (E_RNA)
where:
Base-Base interactions energy: -35.450
where: short stacking energy: -29.539
Base-Backbone interact. energy: -0.062
local terms energy: -41.643115
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -69.890319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.890319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.890319 (E_RNA)
where:
Base-Base interactions energy: -28.528
where: short stacking energy: -18.492
Base-Backbone interact. energy: -1.067
local terms energy: -40.295455
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -10.435
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -8.256
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: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -223.731159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.731159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.731159 (E_RNA)
where:
Base-Base interactions energy: -148.799
where: short stacking energy: -58.876
Base-Backbone interact. energy: -0.053
local terms energy: -74.879790
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -214.862518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.862518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.862518 (E_RNA)
where:
Base-Base interactions energy: -134.585
where: short stacking energy: -70.506
Base-Backbone interact. energy: -0.584
local terms energy: -79.693215
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -22.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -221.599124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.599124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.599124 (E_RNA)
where:
Base-Base interactions energy: -137.890
where: short stacking energy: -64.201
Base-Backbone interact. energy: -0.027
local terms energy: -83.682172
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -206.701943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.701943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.701943 (E_RNA)
where:
Base-Base interactions energy: -132.516
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.001
local terms energy: -74.185569
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -19.130
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: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -136.100830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.100830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.100830 (E_RNA)
where:
Base-Base interactions energy: -79.018
where: short stacking energy: -40.899
Base-Backbone interact. energy: -0.125
local terms energy: -56.957928
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -144.271248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.271248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.271248 (E_RNA)
where:
Base-Base interactions energy: -92.235
where: short stacking energy: -44.292
Base-Backbone interact. energy: -0.259
local terms energy: -51.777087
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -9.295
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: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -103.501357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.501357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.501357 (E_RNA)
where:
Base-Base interactions energy: -55.124
where: short stacking energy: -38.170
Base-Backbone interact. energy: 0.383
local terms energy: -48.760130
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -2.704
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -98.579027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.579027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.579027 (E_RNA)
where:
Base-Base interactions energy: -40.373
where: short stacking energy: -39.634
Base-Backbone interact. energy: -0.009
local terms energy: -58.196621
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -72.612100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.612100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.612100 (E_RNA)
where:
Base-Base interactions energy: -33.093
where: short stacking energy: -25.690
Base-Backbone interact. energy: 0.954
local terms energy: -40.473261
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -8.011
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: 1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -77.337009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.337009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.337009 (E_RNA)
where:
Base-Base interactions energy: -35.872
where: short stacking energy: -16.028
Base-Backbone interact. energy: -0.130
local terms energy: -41.334651
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -7.867
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -218.770595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.770595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.770595 (E_RNA)
where:
Base-Base interactions energy: -137.852
where: short stacking energy: -63.988
Base-Backbone interact. energy: -1.515
local terms energy: -79.403579
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -20.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -223.476599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.476599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.476599 (E_RNA)
where:
Base-Base interactions energy: -152.982
where: short stacking energy: -65.546
Base-Backbone interact. energy: -0.267
local terms energy: -70.227877
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -20.115
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: 263
Temperature: 1.000000
Total energy: -226.139906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.139906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.139906 (E_RNA)
where:
Base-Base interactions energy: -142.395
where: short stacking energy: -62.513
Base-Backbone interact. energy: -0.004
local terms energy: -83.741503
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -20.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -209.220394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.220394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.220394 (E_RNA)
where:
Base-Base interactions energy: -136.919
where: short stacking energy: -49.981
Base-Backbone interact. energy: -0.762
local terms energy: -71.540016
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -155.491372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.491372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.491372 (E_RNA)
where:
Base-Base interactions energy: -96.616
where: short stacking energy: -45.712
Base-Backbone interact. energy: 0.057
local terms energy: -58.932354
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -10.489
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: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -155.939483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.939483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.939483 (E_RNA)
where:
Base-Base interactions energy: -96.791
where: short stacking energy: -49.339
Base-Backbone interact. energy: -0.618
local terms energy: -58.530227
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -11.679
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: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -135.384986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.384986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.384986 (E_RNA)
where:
Base-Base interactions energy: -83.341
where: short stacking energy: -30.614
Base-Backbone interact. energy: -0.384
local terms energy: -51.659510
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -5.394
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -88.271587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.271587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.271587 (E_RNA)
where:
Base-Base interactions energy: -30.082
where: short stacking energy: -26.353
Base-Backbone interact. energy: -0.236
local terms energy: -57.952831
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -5.887
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: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -91.151995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.151995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.151995 (E_RNA)
where:
Base-Base interactions energy: -37.443
where: short stacking energy: -21.446
Base-Backbone interact. energy: -0.102
local terms energy: -53.607035
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -110.949057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.949057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.949057 (E_RNA)
where:
Base-Base interactions energy: -62.700
where: short stacking energy: -32.597
Base-Backbone interact. energy: -0.363
local terms energy: -47.885965
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -7.086
flat angles P-C4'-P energy: -4.995
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -232.958664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.958664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.958664 (E_RNA)
where:
Base-Base interactions energy: -156.036
where: short stacking energy: -65.745
Base-Backbone interact. energy: -0.061
local terms energy: -76.861307
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -221.903749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.903749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.903749 (E_RNA)
where:
Base-Base interactions energy: -144.507
where: short stacking energy: -62.188
Base-Backbone interact. energy: -0.003
local terms energy: -77.393674
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -194.996622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.996622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.996622 (E_RNA)
where:
Base-Base interactions energy: -131.279
where: short stacking energy: -64.124
Base-Backbone interact. energy: -0.106
local terms energy: -63.612034
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -221.926250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.926250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.926250 (E_RNA)
where:
Base-Base interactions energy: -145.166
where: short stacking energy: -69.820
Base-Backbone interact. energy: -0.012
local terms energy: -76.747534
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -158.629287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.629287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.629287 (E_RNA)
where:
Base-Base interactions energy: -101.336
where: short stacking energy: -53.036
Base-Backbone interact. energy: -0.400
local terms energy: -56.893465
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -9.902
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: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -146.959959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.959959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.959959 (E_RNA)
where:
Base-Base interactions energy: -90.863
where: short stacking energy: -37.978
Base-Backbone interact. energy: -0.077
local terms energy: -56.020128
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -5.926
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: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -136.241282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.241282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.241282 (E_RNA)
where:
Base-Base interactions energy: -80.818
where: short stacking energy: -37.127
Base-Backbone interact. energy: -0.336
local terms energy: -55.087480
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -88.623205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.623205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.623205 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -34.165
Base-Backbone interact. energy: -0.297
local terms energy: -51.910228
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -82.811473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.811473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.811473 (E_RNA)
where:
Base-Base interactions energy: -34.686
where: short stacking energy: -23.472
Base-Backbone interact. energy: 0.497
local terms energy: -48.622966
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -80.492582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.492582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.492582 (E_RNA)
where:
Base-Base interactions energy: -32.284
where: short stacking energy: -30.944
Base-Backbone interact. energy: -0.284
local terms energy: -47.924179
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -5.321
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: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -227.747452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.747452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.747452 (E_RNA)
where:
Base-Base interactions energy: -147.128
where: short stacking energy: -64.452
Base-Backbone interact. energy: -0.043
local terms energy: -80.576571
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -217.950722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.950722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.950722 (E_RNA)
where:
Base-Base interactions energy: -139.805
where: short stacking energy: -63.615
Base-Backbone interact. energy: -0.020
local terms energy: -78.125862
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -202.046270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.046270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.046270 (E_RNA)
where:
Base-Base interactions energy: -140.315
where: short stacking energy: -56.920
Base-Backbone interact. energy: -0.019
local terms energy: -61.712630
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -212.097591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.097591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.097591 (E_RNA)
where:
Base-Base interactions energy: -135.344
where: short stacking energy: -56.603
Base-Backbone interact. energy: -0.547
local terms energy: -76.207069
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -171.374931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.374931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.374931 (E_RNA)
where:
Base-Base interactions energy: -110.181
where: short stacking energy: -59.063
Base-Backbone interact. energy: -1.130
local terms energy: -60.064217
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -3.790
tors. eta vs tors. theta energy: -14.665
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: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -152.237197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.237197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.237197 (E_RNA)
where:
Base-Base interactions energy: -89.769
where: short stacking energy: -47.471
Base-Backbone interact. energy: -0.508
local terms energy: -61.960049
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -11.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -130.892545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.892545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.892545 (E_RNA)
where:
Base-Base interactions energy: -65.016
where: short stacking energy: -35.004
Base-Backbone interact. energy: -0.214
local terms energy: -65.662791
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -9.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -88.091496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.091496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.091496 (E_RNA)
where:
Base-Base interactions energy: -43.943
where: short stacking energy: -27.833
Base-Backbone interact. energy: -0.783
local terms energy: -43.366102
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -79.182790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.182790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.182790 (E_RNA)
where:
Base-Base interactions energy: -25.496
where: short stacking energy: -24.535
Base-Backbone interact. energy: -0.107
local terms energy: -53.579520
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -76.824531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.824531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.824531 (E_RNA)
where:
Base-Base interactions energy: -37.822
where: short stacking energy: -28.600
Base-Backbone interact. energy: -0.154
local terms energy: -38.848117
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: 3.471
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: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -224.490662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.490662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.490662 (E_RNA)
where:
Base-Base interactions energy: -146.874
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.010
local terms energy: -77.607339
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -21.161
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: 266
Temperature: 0.950000
Total energy: -220.045333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.045333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.045333 (E_RNA)
where:
Base-Base interactions energy: -148.684
where: short stacking energy: -60.722
Base-Backbone interact. energy: -0.620
local terms energy: -70.740687
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -220.701376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.701376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.701376 (E_RNA)
where:
Base-Base interactions energy: -148.765
where: short stacking energy: -60.409
Base-Backbone interact. energy: -0.011
local terms energy: -71.925419
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -214.160833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.160833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.160833 (E_RNA)
where:
Base-Base interactions energy: -145.054
where: short stacking energy: -62.308
Base-Backbone interact. energy: -1.396
local terms energy: -67.711596
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -16.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -162.342035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.342035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.342035 (E_RNA)
where:
Base-Base interactions energy: -107.191
where: short stacking energy: -44.178
Base-Backbone interact. energy: -0.114
local terms energy: -55.037680
where:
bonds (distance) C4'-P energy: -7.625
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -7.568
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: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -151.274799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.274799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.274799 (E_RNA)
where:
Base-Base interactions energy: -94.647
where: short stacking energy: -46.863
Base-Backbone interact. energy: -0.070
local terms energy: -56.557326
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -81.555137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.555137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.555137 (E_RNA)
where:
Base-Base interactions energy: -25.667
where: short stacking energy: -20.829
Base-Backbone interact. energy: -0.214
local terms energy: -55.674428
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -83.952582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.952582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.952582 (E_RNA)
where:
Base-Base interactions energy: -37.140
where: short stacking energy: -28.654
Base-Backbone interact. energy: -0.043
local terms energy: -46.769877
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -86.932748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.932748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.932748 (E_RNA)
where:
Base-Base interactions energy: -32.406
where: short stacking energy: -32.406
Base-Backbone interact. energy: -1.027
local terms energy: -53.500002
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -2.775
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -80.710463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.710463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.710463 (E_RNA)
where:
Base-Base interactions energy: -33.985
where: short stacking energy: -25.475
Base-Backbone interact. energy: 0.152
local terms energy: -46.877198
where:
bonds (distance) C4'-P energy: -8.055
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -229.710812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.710812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.710812 (E_RNA)
where:
Base-Base interactions energy: -151.171
where: short stacking energy: -62.443
Base-Backbone interact. energy: -0.032
local terms energy: -78.507792
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -222.903189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.903189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.903189 (E_RNA)
where:
Base-Base interactions energy: -139.969
where: short stacking energy: -61.389
Base-Backbone interact. energy: -0.994
local terms energy: -81.939471
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -222.178922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.178922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.178922 (E_RNA)
where:
Base-Base interactions energy: -142.624
where: short stacking energy: -62.663
Base-Backbone interact. energy: -0.077
local terms energy: -79.477999
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -224.328669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.328669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.328669 (E_RNA)
where:
Base-Base interactions energy: -146.657
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.037
local terms energy: -77.635148
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -181.763739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.763739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.763739 (E_RNA)
where:
Base-Base interactions energy: -117.364
where: short stacking energy: -54.530
Base-Backbone interact. energy: -0.791
local terms energy: -63.609599
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -14.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -164.877353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.877353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.877353 (E_RNA)
where:
Base-Base interactions energy: -107.683
where: short stacking energy: -51.078
Base-Backbone interact. energy: -0.427
local terms energy: -56.767585
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -10.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -87.913241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.913241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.913241 (E_RNA)
where:
Base-Base interactions energy: -33.999
where: short stacking energy: -25.218
Base-Backbone interact. energy: -0.120
local terms energy: -53.793497
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: 0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -88.041347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.041347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.041347 (E_RNA)
where:
Base-Base interactions energy: -34.380
where: short stacking energy: -34.380
Base-Backbone interact. energy: -0.100
local terms energy: -53.561323
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -7.304
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: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -82.893514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.893514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.893514 (E_RNA)
where:
Base-Base interactions energy: -33.465
where: short stacking energy: -22.691
Base-Backbone interact. energy: 0.694
local terms energy: -50.122635
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -73.633378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.633378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.633378 (E_RNA)
where:
Base-Base interactions energy: -19.382
where: short stacking energy: -18.713
Base-Backbone interact. energy: -0.192
local terms energy: -54.059200
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -229.188606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.188606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.188606 (E_RNA)
where:
Base-Base interactions energy: -154.900
where: short stacking energy: -60.317
Base-Backbone interact. energy: -0.113
local terms energy: -74.175234
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -228.884877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.884877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.884877 (E_RNA)
where:
Base-Base interactions energy: -149.891
where: short stacking energy: -70.945
Base-Backbone interact. energy: -0.027
local terms energy: -78.966906
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -20.468
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: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -223.215448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.215448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.215448 (E_RNA)
where:
Base-Base interactions energy: -150.565
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.304
local terms energy: -72.346324
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -214.907630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.907630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.907630 (E_RNA)
where:
Base-Base interactions energy: -137.943
where: short stacking energy: -67.500
Base-Backbone interact. energy: -0.599
local terms energy: -76.364671
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -166.907757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.907757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.907757 (E_RNA)
where:
Base-Base interactions energy: -104.403
where: short stacking energy: -55.828
Base-Backbone interact. energy: -0.165
local terms energy: -62.339929
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -186.000734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.000734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.000734 (E_RNA)
where:
Base-Base interactions energy: -123.693
where: short stacking energy: -55.179
Base-Backbone interact. energy: -0.419
local terms energy: -61.888680
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -97.814723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.814723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.814723 (E_RNA)
where:
Base-Base interactions energy: -33.588
where: short stacking energy: -30.440
Base-Backbone interact. energy: -2.203
local terms energy: -62.024404
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -83.765232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.765232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.765232 (E_RNA)
where:
Base-Base interactions energy: -31.721
where: short stacking energy: -19.375
Base-Backbone interact. energy: -0.015
local terms energy: -52.029561
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -75.438485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.438485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.438485 (E_RNA)
where:
Base-Base interactions energy: -32.984
where: short stacking energy: -21.094
Base-Backbone interact. energy: 1.492
local terms energy: -43.947044
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: 2.014
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: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -87.632078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.632078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.632078 (E_RNA)
where:
Base-Base interactions energy: -39.082
where: short stacking energy: -17.720
Base-Backbone interact. energy: -0.104
local terms energy: -48.446623
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -11.534
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: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -226.694351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.694351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.694351 (E_RNA)
where:
Base-Base interactions energy: -165.088
where: short stacking energy: -55.811
Base-Backbone interact. energy: -0.137
local terms energy: -61.469981
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -224.363606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.363606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.363606 (E_RNA)
where:
Base-Base interactions energy: -143.633
where: short stacking energy: -66.578
Base-Backbone interact. energy: -0.013
local terms energy: -80.717375
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -215.239384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.239384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.239384 (E_RNA)
where:
Base-Base interactions energy: -136.341
where: short stacking energy: -60.372
Base-Backbone interact. energy: -0.705
local terms energy: -78.193145
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -200.102017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.102017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.102017 (E_RNA)
where:
Base-Base interactions energy: -138.189
where: short stacking energy: -60.893
Base-Backbone interact. energy: -0.732
local terms energy: -61.180811
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -171.189521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.189521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.189521 (E_RNA)
where:
Base-Base interactions energy: -108.535
where: short stacking energy: -46.873
Base-Backbone interact. energy: -0.040
local terms energy: -62.614506
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -10.279
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: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -124.238783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.238783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.238783 (E_RNA)
where:
Base-Base interactions energy: -73.475
where: short stacking energy: -30.617
Base-Backbone interact. energy: -0.462
local terms energy: -50.301654
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -10.377
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: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -171.276886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.276886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.276886 (E_RNA)
where:
Base-Base interactions energy: -107.429
where: short stacking energy: -38.635
Base-Backbone interact. energy: -1.234
local terms energy: -62.613786
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -85.971508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.971508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.971508 (E_RNA)
where:
Base-Base interactions energy: -36.674
where: short stacking energy: -22.762
Base-Backbone interact. energy: -0.264
local terms energy: -49.033198
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: 3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -84.911574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.911574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.911574 (E_RNA)
where:
Base-Base interactions energy: -29.496
where: short stacking energy: -29.235
Base-Backbone interact. energy: -0.027
local terms energy: -55.388929
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -7.048
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: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -78.653718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.653718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.653718 (E_RNA)
where:
Base-Base interactions energy: -31.814
where: short stacking energy: -24.388
Base-Backbone interact. energy: -0.376
local terms energy: -46.463052
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -11.097
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -7.601
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: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -225.590038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.590038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.590038 (E_RNA)
where:
Base-Base interactions energy: -146.020
where: short stacking energy: -68.546
Base-Backbone interact. energy: -0.055
local terms energy: -79.515289
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -22.139
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: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -217.992482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.992482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.992482 (E_RNA)
where:
Base-Base interactions energy: -151.598
where: short stacking energy: -56.409
Base-Backbone interact. energy: -0.044
local terms energy: -66.350219
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -220.648403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.648403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.648403 (E_RNA)
where:
Base-Base interactions energy: -147.621
where: short stacking energy: -51.364
Base-Backbone interact. energy: -0.029
local terms energy: -72.998166
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -211.732304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.732304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.732304 (E_RNA)
where:
Base-Base interactions energy: -140.505
where: short stacking energy: -65.686
Base-Backbone interact. energy: 0.029
local terms energy: -71.256064
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -161.973405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.973405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.973405 (E_RNA)
where:
Base-Base interactions energy: -101.421
where: short stacking energy: -49.028
Base-Backbone interact. energy: 1.745
local terms energy: -62.297222
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -11.558
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: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -107.036998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.036998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.036998 (E_RNA)
where:
Base-Base interactions energy: -44.994
where: short stacking energy: -36.255
Base-Backbone interact. energy: -0.004
local terms energy: -62.038926
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -10.288
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: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -131.858310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.858310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.858310 (E_RNA)
where:
Base-Base interactions energy: -73.649
where: short stacking energy: -34.463
Base-Backbone interact. energy: -0.202
local terms energy: -58.007813
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -9.378
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: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -83.423941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.423941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.423941 (E_RNA)
where:
Base-Base interactions energy: -28.079
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.180
local terms energy: -55.165455
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -79.693961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.693961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.693961 (E_RNA)
where:
Base-Base interactions energy: -26.850
where: short stacking energy: -26.521
Base-Backbone interact. energy: -0.237
local terms energy: -52.607637
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -7.757
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: 10, replica: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -73.564954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.564954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.564954 (E_RNA)
where:
Base-Base interactions energy: -21.965
where: short stacking energy: -20.298
Base-Backbone interact. energy: -0.004
local terms energy: -51.596707
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -224.793421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.793421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.793421 (E_RNA)
where:
Base-Base interactions energy: -147.649
where: short stacking energy: -67.230
Base-Backbone interact. energy: -0.070
local terms energy: -77.073854
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -224.018853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.018853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.018853 (E_RNA)
where:
Base-Base interactions energy: -152.980
where: short stacking energy: -63.330
Base-Backbone interact. energy: 0.546
local terms energy: -71.584839
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -14.169
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: 271
Temperature: 1.000000
Total energy: -216.712379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.712379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.712379 (E_RNA)
where:
Base-Base interactions energy: -143.527
where: short stacking energy: -62.510
Base-Backbone interact. energy: -0.049
local terms energy: -73.136354
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -186.096964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.096964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.096964 (E_RNA)
where:
Base-Base interactions energy: -119.465
where: short stacking energy: -62.363
Base-Backbone interact. energy: -0.740
local terms energy: -65.892641
where:
bonds (distance) C4'-P energy: -6.949
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -19.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -203.781399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.781399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.781399 (E_RNA)
where:
Base-Base interactions energy: -136.586
where: short stacking energy: -60.441
Base-Backbone interact. energy: -0.438
local terms energy: -66.757541
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -17.735
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: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -185.777125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.777125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.777125 (E_RNA)
where:
Base-Base interactions energy: -116.856
where: short stacking energy: -56.307
Base-Backbone interact. energy: -0.092
local terms energy: -68.828453
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -85.070113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.070113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.070113 (E_RNA)
where:
Base-Base interactions energy: -32.952
where: short stacking energy: -34.352
Base-Backbone interact. energy: 0.990
local terms energy: -53.107272
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -7.999
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: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -84.961118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.961118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.961118 (E_RNA)
where:
Base-Base interactions energy: -36.768
where: short stacking energy: -32.034
Base-Backbone interact. energy: 1.058
local terms energy: -49.251228
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -81.698411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.698411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.698411 (E_RNA)
where:
Base-Base interactions energy: -31.833
where: short stacking energy: -22.981
Base-Backbone interact. energy: -0.067
local terms energy: -49.798324
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -0.282
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: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -76.211830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.211830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.211830 (E_RNA)
where:
Base-Base interactions energy: -26.808
where: short stacking energy: -22.468
Base-Backbone interact. energy: 0.254
local terms energy: -49.658181
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -226.081360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.081360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.081360 (E_RNA)
where:
Base-Base interactions energy: -154.043
where: short stacking energy: -55.817
Base-Backbone interact. energy: -0.822
local terms energy: -71.216675
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -223.721152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.721152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.721152 (E_RNA)
where:
Base-Base interactions energy: -144.571
where: short stacking energy: -69.640
Base-Backbone interact. energy: 0.034
local terms energy: -79.184075
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -203.537560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.537560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.537560 (E_RNA)
where:
Base-Base interactions energy: -129.781
where: short stacking energy: -42.606
Base-Backbone interact. energy: -0.323
local terms energy: -73.432857
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -16.333
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: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -186.840245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.840245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.840245 (E_RNA)
where:
Base-Base interactions energy: -118.216
where: short stacking energy: -55.841
Base-Backbone interact. energy: 0.891
local terms energy: -69.515711
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -209.328530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.328530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.328530 (E_RNA)
where:
Base-Base interactions energy: -137.581
where: short stacking energy: -67.103
Base-Backbone interact. energy: -0.131
local terms energy: -71.617219
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -22.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -192.680615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.680615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.680615 (E_RNA)
where:
Base-Base interactions energy: -120.674
where: short stacking energy: -55.635
Base-Backbone interact. energy: -0.519
local terms energy: -71.487488
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -81.272614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.272614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.272614 (E_RNA)
where:
Base-Base interactions energy: -26.622
where: short stacking energy: -20.597
Base-Backbone interact. energy: -0.378
local terms energy: -54.272645
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -85.503454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.503454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.503454 (E_RNA)
where:
Base-Base interactions energy: -37.847
where: short stacking energy: -35.404
Base-Backbone interact. energy: -0.345
local terms energy: -47.311769
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -11.971
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: 9, replica: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -84.480057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.480057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.480057 (E_RNA)
where:
Base-Base interactions energy: -37.335
where: short stacking energy: -30.771
Base-Backbone interact. energy: -0.281
local terms energy: -46.864132
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -78.020170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.020170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.020170 (E_RNA)
where:
Base-Base interactions energy: -28.944
where: short stacking energy: -28.781
Base-Backbone interact. energy: -0.040
local terms energy: -49.035719
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -224.961026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.961026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.961026 (E_RNA)
where:
Base-Base interactions energy: -147.232
where: short stacking energy: -69.830
Base-Backbone interact. energy: -0.001
local terms energy: -77.728802
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -225.602915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.602915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.602915 (E_RNA)
where:
Base-Base interactions energy: -138.771
where: short stacking energy: -69.547
Base-Backbone interact. energy: -0.430
local terms energy: -86.402564
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -23.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -208.017179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.017179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.017179 (E_RNA)
where:
Base-Base interactions energy: -141.314
where: short stacking energy: -61.169
Base-Backbone interact. energy: -0.213
local terms energy: -66.490535
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -11.361
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -208.202334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.202334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.202334 (E_RNA)
where:
Base-Base interactions energy: -131.333
where: short stacking energy: -59.043
Base-Backbone interact. energy: -0.626
local terms energy: -76.243012
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -16.452
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: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -186.658586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.658586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.658586 (E_RNA)
where:
Base-Base interactions energy: -126.368
where: short stacking energy: -54.703
Base-Backbone interact. energy: -0.080
local terms energy: -60.210606
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -10.797
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: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -94.602423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.602423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.602423 (E_RNA)
where:
Base-Base interactions energy: -37.368
where: short stacking energy: -36.717
Base-Backbone interact. energy: -0.086
local terms energy: -57.148355
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -3.932
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -175.353435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.353435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.353435 (E_RNA)
where:
Base-Base interactions energy: -113.488
where: short stacking energy: -60.489
Base-Backbone interact. energy: -0.052
local terms energy: -61.813331
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -85.180263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.180263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.180263 (E_RNA)
where:
Base-Base interactions energy: -38.530
where: short stacking energy: -32.659
Base-Backbone interact. energy: -0.336
local terms energy: -46.314243
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -78.406174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.406174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.406174 (E_RNA)
where:
Base-Base interactions energy: -25.883
where: short stacking energy: -22.993
Base-Backbone interact. energy: -0.117
local terms energy: -52.405721
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -4.636
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: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -75.021727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.021727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.021727 (E_RNA)
where:
Base-Base interactions energy: -21.246
where: short stacking energy: -21.246
Base-Backbone interact. energy: -0.181
local terms energy: -53.594602
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: 0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -228.967443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.967443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.967443 (E_RNA)
where:
Base-Base interactions energy: -142.321
where: short stacking energy: -69.206
Base-Backbone interact. energy: -0.439
local terms energy: -86.206700
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -225.283130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.283130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.283130 (E_RNA)
where:
Base-Base interactions energy: -148.342
where: short stacking energy: -55.203
Base-Backbone interact. energy: 0.301
local terms energy: -77.241923
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -18.172
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: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -210.377316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.377316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.377316 (E_RNA)
where:
Base-Base interactions energy: -137.984
where: short stacking energy: -61.297
Base-Backbone interact. energy: -0.113
local terms energy: -72.281046
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -15.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -204.684450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.684450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.684450 (E_RNA)
where:
Base-Base interactions energy: -131.045
where: short stacking energy: -66.936
Base-Backbone interact. energy: -0.446
local terms energy: -73.193896
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -21.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -197.352923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.352923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.352923 (E_RNA)
where:
Base-Base interactions energy: -127.910
where: short stacking energy: -57.703
Base-Backbone interact. energy: -0.010
local terms energy: -69.433043
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -95.418226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.418226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.418226 (E_RNA)
where:
Base-Base interactions energy: -39.240
where: short stacking energy: -32.131
Base-Backbone interact. energy: -0.284
local terms energy: -55.894555
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -137.273014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.273014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.273014 (E_RNA)
where:
Base-Base interactions energy: -72.391
where: short stacking energy: -36.710
Base-Backbone interact. energy: -0.106
local terms energy: -64.775833
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -84.370364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.370364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.370364 (E_RNA)
where:
Base-Base interactions energy: -26.553
where: short stacking energy: -22.758
Base-Backbone interact. energy: 0.414
local terms energy: -58.230904
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -8.296
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: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -76.294067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.294067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.294067 (E_RNA)
where:
Base-Base interactions energy: -21.731
where: short stacking energy: -21.731
Base-Backbone interact. energy: -0.196
local terms energy: -54.367335
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -9.193
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: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -82.037305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.037305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.037305 (E_RNA)
where:
Base-Base interactions energy: -36.974
where: short stacking energy: -22.984
Base-Backbone interact. energy: 1.243
local terms energy: -46.305717
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -4.780
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -231.980082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.980082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.980082 (E_RNA)
where:
Base-Base interactions energy: -151.910
where: short stacking energy: -62.515
Base-Backbone interact. energy: -0.285
local terms energy: -79.784906
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -20.794
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: 2, replica: 5
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -220.142903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.142903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.142903 (E_RNA)
where:
Base-Base interactions energy: -138.116
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.018
local terms energy: -82.009222
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -22.221
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: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -216.497944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.497944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.497944 (E_RNA)
where:
Base-Base interactions energy: -140.468
where: short stacking energy: -68.015
Base-Backbone interact. energy: -0.024
local terms energy: -76.006756
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -206.166395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.166395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.166395 (E_RNA)
where:
Base-Base interactions energy: -130.553
where: short stacking energy: -58.752
Base-Backbone interact. energy: -1.032
local terms energy: -74.580781
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -17.071
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: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -209.132720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.132720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.132720 (E_RNA)
where:
Base-Base interactions energy: -144.452
where: short stacking energy: -55.618
Base-Backbone interact. energy: 0.534
local terms energy: -65.214932
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -177.568762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.568762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.568762 (E_RNA)
where:
Base-Base interactions energy: -111.343
where: short stacking energy: -46.238
Base-Backbone interact. energy: -0.002
local terms energy: -66.224111
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -80.942336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.942336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.942336 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -29.001
Base-Backbone interact. energy: -0.098
local terms energy: -49.515113
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -86.221797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.221797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.221797 (E_RNA)
where:
Base-Base interactions energy: -33.909
where: short stacking energy: -20.039
Base-Backbone interact. energy: -0.377
local terms energy: -51.935902
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -81.268855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.268855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.268855 (E_RNA)
where:
Base-Base interactions energy: -34.412
where: short stacking energy: -30.931
Base-Backbone interact. energy: -0.122
local terms energy: -46.734530
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -74.527520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.527520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.527520 (E_RNA)
where:
Base-Base interactions energy: -31.648
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.067
local terms energy: -42.813256
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: 1.248
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -227.295090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.295090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.295090 (E_RNA)
where:
Base-Base interactions energy: -142.025
where: short stacking energy: -72.800
Base-Backbone interact. energy: -0.689
local terms energy: -84.580825
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -21.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -209.800385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.800385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.800385 (E_RNA)
where:
Base-Base interactions energy: -133.378
where: short stacking energy: -57.792
Base-Backbone interact. energy: -0.882
local terms energy: -75.539862
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -215.297226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.297226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.297226 (E_RNA)
where:
Base-Base interactions energy: -137.267
where: short stacking energy: -63.454
Base-Backbone interact. energy: -0.609
local terms energy: -77.421987
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -19.540
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: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -200.649429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.649429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.649429 (E_RNA)
where:
Base-Base interactions energy: -139.755
where: short stacking energy: -44.134
Base-Backbone interact. energy: -0.221
local terms energy: -60.673417
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -198.985111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.985111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.985111 (E_RNA)
where:
Base-Base interactions energy: -133.753
where: short stacking energy: -47.749
Base-Backbone interact. energy: -0.017
local terms energy: -65.214970
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -10.807
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: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -149.749390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.749390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.749390 (E_RNA)
where:
Base-Base interactions energy: -95.408
where: short stacking energy: -35.272
Base-Backbone interact. energy: -0.620
local terms energy: -53.721245
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -6.919
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -101.755397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.755397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.755397 (E_RNA)
where:
Base-Base interactions energy: -49.147
where: short stacking energy: -47.272
Base-Backbone interact. energy: -0.951
local terms energy: -51.657200
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -1.948
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -104.877517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.877517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.877517 (E_RNA)
where:
Base-Base interactions energy: -43.927
where: short stacking energy: -42.456
Base-Backbone interact. energy: -0.056
local terms energy: -60.894839
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -91.015865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.015865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.015865 (E_RNA)
where:
Base-Base interactions energy: -34.851
where: short stacking energy: -34.851
Base-Backbone interact. energy: 0.849
local terms energy: -57.013465
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -12.157
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: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -81.358671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.358671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.358671 (E_RNA)
where:
Base-Base interactions energy: -32.259
where: short stacking energy: -27.491
Base-Backbone interact. energy: 3.927
local terms energy: -53.027176
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -226.791208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.791208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.791208 (E_RNA)
where:
Base-Base interactions energy: -142.758
where: short stacking energy: -71.294
Base-Backbone interact. energy: -0.060
local terms energy: -83.973646
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -219.880476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.880476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.880476 (E_RNA)
where:
Base-Base interactions energy: -141.954
where: short stacking energy: -64.370
Base-Backbone interact. energy: -0.010
local terms energy: -77.916964
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -191.094610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.094610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.094610 (E_RNA)
where:
Base-Base interactions energy: -126.633
where: short stacking energy: -53.451
Base-Backbone interact. energy: -0.070
local terms energy: -64.391707
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -15.639
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: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -196.800867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.800867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.800867 (E_RNA)
where:
Base-Base interactions energy: -130.327
where: short stacking energy: -55.164
Base-Backbone interact. energy: -0.713
local terms energy: -65.760223
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -207.097123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.097123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.097123 (E_RNA)
where:
Base-Base interactions energy: -135.949
where: short stacking energy: -63.270
Base-Backbone interact. energy: -0.316
local terms energy: -70.831608
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -98.308409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.308409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.308409 (E_RNA)
where:
Base-Base interactions energy: -46.555
where: short stacking energy: -46.457
Base-Backbone interact. energy: 0.290
local terms energy: -52.043531
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -10.196
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: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -126.216774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.216774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.216774 (E_RNA)
where:
Base-Base interactions energy: -75.903
where: short stacking energy: -43.379
Base-Backbone interact. energy: -0.118
local terms energy: -50.195898
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -100.451663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.451663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.451663 (E_RNA)
where:
Base-Base interactions energy: -51.840
where: short stacking energy: -34.216
Base-Backbone interact. energy: -0.109
local terms energy: -48.502800
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -8.760
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: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -86.523473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.523473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.523473 (E_RNA)
where:
Base-Base interactions energy: -32.781
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.122
local terms energy: -53.620335
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -8.782
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: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -72.419621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.419621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.419621 (E_RNA)
where:
Base-Base interactions energy: -30.032
where: short stacking energy: -21.725
Base-Backbone interact. energy: -0.003
local terms energy: -42.384230
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: 1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -230.689473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.689473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.689473 (E_RNA)
where:
Base-Base interactions energy: -154.050
where: short stacking energy: -73.265
Base-Backbone interact. energy: -0.038
local terms energy: -76.601397
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -227.076008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.076008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.076008 (E_RNA)
where:
Base-Base interactions energy: -144.580
where: short stacking energy: -62.464
Base-Backbone interact. energy: -1.285
local terms energy: -81.211036
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -20.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -206.775929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.775929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.775929 (E_RNA)
where:
Base-Base interactions energy: -139.386
where: short stacking energy: -61.411
Base-Backbone interact. energy: -0.138
local terms energy: -67.251963
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -160.230529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.230529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.230529 (E_RNA)
where:
Base-Base interactions energy: -95.681
where: short stacking energy: -40.402
Base-Backbone interact. energy: -0.370
local terms energy: -64.179880
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -194.249598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.249598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.249598 (E_RNA)
where:
Base-Base interactions energy: -131.461
where: short stacking energy: -56.763
Base-Backbone interact. energy: -0.797
local terms energy: -61.991175
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -3.985
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -100.614024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.614024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.614024 (E_RNA)
where:
Base-Base interactions energy: -40.490
where: short stacking energy: -36.023
Base-Backbone interact. energy: -0.120
local terms energy: -60.004018
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -130.764676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.764676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.764676 (E_RNA)
where:
Base-Base interactions energy: -71.819
where: short stacking energy: -41.222
Base-Backbone interact. energy: -0.225
local terms energy: -58.720724
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -13.860
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: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -119.824751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.824751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.824751 (E_RNA)
where:
Base-Base interactions energy: -79.190
where: short stacking energy: -25.767
Base-Backbone interact. energy: 4.372
local terms energy: -45.007465
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: -7.847
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: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -98.251018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.251018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.251018 (E_RNA)
where:
Base-Base interactions energy: -51.433
where: short stacking energy: -32.151
Base-Backbone interact. energy: 0.818
local terms energy: -47.636330
where:
bonds (distance) C4'-P energy: -7.996
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -3.204
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: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -64.714441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.714441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.714441 (E_RNA)
where:
Base-Base interactions energy: -17.707
where: short stacking energy: -15.103
Base-Backbone interact. energy: -0.125
local terms energy: -46.882286
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -10.051
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -2.923
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: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -227.121627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.121627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.121627 (E_RNA)
where:
Base-Base interactions energy: -146.696
where: short stacking energy: -68.900
Base-Backbone interact. energy: -0.060
local terms energy: -80.365393
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -219.986343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.986343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.986343 (E_RNA)
where:
Base-Base interactions energy: -143.134
where: short stacking energy: -69.772
Base-Backbone interact. energy: -0.076
local terms energy: -76.775748
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -208.543604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.543604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.543604 (E_RNA)
where:
Base-Base interactions energy: -135.405
where: short stacking energy: -66.310
Base-Backbone interact. energy: -1.347
local terms energy: -71.791905
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -208.896410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.896410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.896410 (E_RNA)
where:
Base-Base interactions energy: -141.146
where: short stacking energy: -53.644
Base-Backbone interact. energy: -0.330
local terms energy: -67.420106
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -152.255722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.255722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.255722 (E_RNA)
where:
Base-Base interactions energy: -84.000
where: short stacking energy: -40.640
Base-Backbone interact. energy: -0.271
local terms energy: -67.983937
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -145.923376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.923376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.923376 (E_RNA)
where:
Base-Base interactions energy: -79.657
where: short stacking energy: -46.449
Base-Backbone interact. energy: -0.245
local terms energy: -66.022070
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -94.509639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.509639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.509639 (E_RNA)
where:
Base-Base interactions energy: -47.135
where: short stacking energy: -21.312
Base-Backbone interact. energy: -0.417
local terms energy: -46.957922
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: 3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -145.017128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.017128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.017128 (E_RNA)
where:
Base-Base interactions energy: -88.258
where: short stacking energy: -37.135
Base-Backbone interact. energy: -0.502
local terms energy: -56.256854
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -8.712
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: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -75.696004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.696004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.696004 (E_RNA)
where:
Base-Base interactions energy: -22.491
where: short stacking energy: -16.594
Base-Backbone interact. energy: -1.024
local terms energy: -52.181256
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: 0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -74.593485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.593485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.593485 (E_RNA)
where:
Base-Base interactions energy: -45.277
where: short stacking energy: -20.260
Base-Backbone interact. energy: -0.623
local terms energy: -28.693262
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -3.862
flat angles P-C4'-P energy: -3.377
tors. eta vs tors. theta energy: 5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -218.604351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.604351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.604351 (E_RNA)
where:
Base-Base interactions energy: -143.256
where: short stacking energy: -66.594
Base-Backbone interact. energy: -0.245
local terms energy: -75.103492
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -22.709
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: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -221.473414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.473414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.473414 (E_RNA)
where:
Base-Base interactions energy: -145.458
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.025
local terms energy: -75.989524
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -212.868660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.868660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.868660 (E_RNA)
where:
Base-Base interactions energy: -145.124
where: short stacking energy: -64.250
Base-Backbone interact. energy: 3.019
local terms energy: -70.763840
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -188.504888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.504888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.504888 (E_RNA)
where:
Base-Base interactions energy: -127.549
where: short stacking energy: -62.024
Base-Backbone interact. energy: -0.280
local terms energy: -60.676519
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -3.617
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -14.675
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: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -162.959189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.959189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.959189 (E_RNA)
where:
Base-Base interactions energy: -104.762
where: short stacking energy: -44.825
Base-Backbone interact. energy: -0.017
local terms energy: -58.180470
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -10.501
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: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -142.673499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.673499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.673499 (E_RNA)
where:
Base-Base interactions energy: -87.495
where: short stacking energy: -51.970
Base-Backbone interact. energy: -0.048
local terms energy: -55.130327
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -8.121
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -154.756149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.756149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.756149 (E_RNA)
where:
Base-Base interactions energy: -92.141
where: short stacking energy: -46.134
Base-Backbone interact. energy: -0.067
local terms energy: -62.548875
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -95.120849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.120849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.120849 (E_RNA)
where:
Base-Base interactions energy: -33.853
where: short stacking energy: -32.639
Base-Backbone interact. energy: 0.715
local terms energy: -61.983042
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -83.680232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.680232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.680232 (E_RNA)
where:
Base-Base interactions energy: -32.616
where: short stacking energy: -29.658
Base-Backbone interact. energy: -0.333
local terms energy: -50.731197
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -73.683730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.683730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.683730 (E_RNA)
where:
Base-Base interactions energy: -33.971
where: short stacking energy: -19.688
Base-Backbone interact. energy: -0.304
local terms energy: -39.409513
where:
bonds (distance) C4'-P energy: -7.337
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -226.027643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.027643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.027643 (E_RNA)
where:
Base-Base interactions energy: -146.131
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.041
local terms energy: -79.856071
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -21.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -225.552738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.552738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.552738 (E_RNA)
where:
Base-Base interactions energy: -151.437
where: short stacking energy: -62.524
Base-Backbone interact. energy: 0.625
local terms energy: -74.740679
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -199.147667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.147667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.147667 (E_RNA)
where:
Base-Base interactions energy: -134.309
where: short stacking energy: -63.507
Base-Backbone interact. energy: -0.424
local terms energy: -64.414590
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -208.996350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.996350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.996350 (E_RNA)
where:
Base-Base interactions energy: -134.280
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.001
local terms energy: -74.715401
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -18.061
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: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -164.271413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.271413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.271413 (E_RNA)
where:
Base-Base interactions energy: -91.747
where: short stacking energy: -48.423
Base-Backbone interact. energy: 0.275
local terms energy: -72.799044
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -155.750916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.750916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.750916 (E_RNA)
where:
Base-Base interactions energy: -91.742
where: short stacking energy: -43.857
Base-Backbone interact. energy: -0.322
local terms energy: -63.687771
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -9.325
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: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -135.223587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.223587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.223587 (E_RNA)
where:
Base-Base interactions energy: -77.380
where: short stacking energy: -37.806
Base-Backbone interact. energy: -0.125
local terms energy: -57.719284
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -9.373
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: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -96.088303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.088303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.088303 (E_RNA)
where:
Base-Base interactions energy: -47.185
where: short stacking energy: -32.257
Base-Backbone interact. energy: -0.112
local terms energy: -48.791755
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -83.997939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.997939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.997939 (E_RNA)
where:
Base-Base interactions energy: -42.888
where: short stacking energy: -29.727
Base-Backbone interact. energy: -0.411
local terms energy: -40.698896
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -4.831
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: 0.433
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: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -73.304242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.304242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.304242 (E_RNA)
where:
Base-Base interactions energy: -27.252
where: short stacking energy: -18.845
Base-Backbone interact. energy: -1.378
local terms energy: -44.673401
where:
bonds (distance) C4'-P energy: -8.626
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -225.325184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.325184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.325184 (E_RNA)
where:
Base-Base interactions energy: -143.977
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.021
local terms energy: -81.327475
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -21.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -213.392700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.392700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.392700 (E_RNA)
where:
Base-Base interactions energy: -139.477
where: short stacking energy: -56.920
Base-Backbone interact. energy: -0.003
local terms energy: -73.912689
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -21.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -213.533011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.533011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.533011 (E_RNA)
where:
Base-Base interactions energy: -139.889
where: short stacking energy: -59.278
Base-Backbone interact. energy: -0.002
local terms energy: -73.641201
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -206.748824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.748824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.748824 (E_RNA)
where:
Base-Base interactions energy: -139.532
where: short stacking energy: -52.542
Base-Backbone interact. energy: -0.104
local terms energy: -67.112632
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -8.312
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -16.469
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: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -165.128366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.128366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.128366 (E_RNA)
where:
Base-Base interactions energy: -98.775
where: short stacking energy: -52.544
Base-Backbone interact. energy: 0.730
local terms energy: -67.083066
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -16.399
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: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -149.791722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.791722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.791722 (E_RNA)
where:
Base-Base interactions energy: -89.792
where: short stacking energy: -48.110
Base-Backbone interact. energy: -0.076
local terms energy: -59.923574
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -8.985
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -97.705836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.705836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.705836 (E_RNA)
where:
Base-Base interactions energy: -43.885
where: short stacking energy: -31.355
Base-Backbone interact. energy: -0.096
local terms energy: -53.724196
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -131.375180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.375180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.375180 (E_RNA)
where:
Base-Base interactions energy: -76.259
where: short stacking energy: -39.117
Base-Backbone interact. energy: -0.308
local terms energy: -54.808429
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -10.453
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: 282
Temperature: 1.300000
Total energy: -84.628921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.628921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.628921 (E_RNA)
where:
Base-Base interactions energy: -35.933
where: short stacking energy: -35.164
Base-Backbone interact. energy: -0.116
local terms energy: -48.579412
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -74.423912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.423912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.423912 (E_RNA)
where:
Base-Base interactions energy: -30.506
where: short stacking energy: -26.284
Base-Backbone interact. energy: -0.719
local terms energy: -43.198673
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -7.270
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -0.630
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: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -223.351247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.351247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.351247 (E_RNA)
where:
Base-Base interactions energy: -151.629
where: short stacking energy: -66.952
Base-Backbone interact. energy: -0.030
local terms energy: -71.692480
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -220.419732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.419732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.419732 (E_RNA)
where:
Base-Base interactions energy: -138.612
where: short stacking energy: -65.250
Base-Backbone interact. energy: -0.075
local terms energy: -81.732104
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -206.843614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.843614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.843614 (E_RNA)
where:
Base-Base interactions energy: -141.034
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.014
local terms energy: -65.795846
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -209.725817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.725817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.725817 (E_RNA)
where:
Base-Base interactions energy: -135.797
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.333
local terms energy: -73.595797
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -177.815853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.815853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.815853 (E_RNA)
where:
Base-Base interactions energy: -107.972
where: short stacking energy: -60.075
Base-Backbone interact. energy: -0.808
local terms energy: -69.035664
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -13.156
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: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -148.344827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.344827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.344827 (E_RNA)
where:
Base-Base interactions energy: -94.893
where: short stacking energy: -44.046
Base-Backbone interact. energy: -0.773
local terms energy: -52.678636
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -105.082187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.082187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.082187 (E_RNA)
where:
Base-Base interactions energy: -45.336
where: short stacking energy: -45.336
Base-Backbone interact. energy: -0.001
local terms energy: -59.744988
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -14.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -88.727166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.727166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.727166 (E_RNA)
where:
Base-Base interactions energy: -39.441
where: short stacking energy: -27.326
Base-Backbone interact. energy: 1.515
local terms energy: -50.800979
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -112.234803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.234803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.234803 (E_RNA)
where:
Base-Base interactions energy: -68.735
where: short stacking energy: -26.781
Base-Backbone interact. energy: -0.044
local terms energy: -43.455494
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -71.567468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.567468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.567468 (E_RNA)
where:
Base-Base interactions energy: -26.649
where: short stacking energy: -26.649
Base-Backbone interact. energy: -0.302
local terms energy: -44.615604
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: 0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -233.121567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.121567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.121567 (E_RNA)
where:
Base-Base interactions energy: -152.452
where: short stacking energy: -67.206
Base-Backbone interact. energy: -0.067
local terms energy: -80.602290
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -22.009
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: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -214.822415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.822415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.822415 (E_RNA)
where:
Base-Base interactions energy: -146.368
where: short stacking energy: -47.745
Base-Backbone interact. energy: -0.018
local terms energy: -68.436442
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -20.416
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: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -222.351864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.351864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.351864 (E_RNA)
where:
Base-Base interactions energy: -146.743
where: short stacking energy: -59.979
Base-Backbone interact. energy: -0.353
local terms energy: -75.255533
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -209.992444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.992444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.992444 (E_RNA)
where:
Base-Base interactions energy: -140.620
where: short stacking energy: -65.895
Base-Backbone interact. energy: -0.473
local terms energy: -68.899911
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -9.162
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -161.349954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.349954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.349954 (E_RNA)
where:
Base-Base interactions energy: -98.620
where: short stacking energy: -47.890
Base-Backbone interact. energy: -0.357
local terms energy: -62.373132
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -12.061
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: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -156.166765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.166765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.166765 (E_RNA)
where:
Base-Base interactions energy: -101.577
where: short stacking energy: -45.437
Base-Backbone interact. energy: -0.859
local terms energy: -53.729902
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -10.062
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -106.128295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.128295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.128295 (E_RNA)
where:
Base-Base interactions energy: -57.571
where: short stacking energy: -32.241
Base-Backbone interact. energy: -0.379
local terms energy: -48.178075
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -86.763412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.763412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.763412 (E_RNA)
where:
Base-Base interactions energy: -35.631
where: short stacking energy: -35.631
Base-Backbone interact. energy: -0.024
local terms energy: -51.107902
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -76.323061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.323061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.323061 (E_RNA)
where:
Base-Base interactions energy: -35.501
where: short stacking energy: -18.214
Base-Backbone interact. energy: -0.467
local terms energy: -40.355858
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -7.504
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: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -77.849699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.849699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.849699 (E_RNA)
where:
Base-Base interactions energy: -27.791
where: short stacking energy: -24.992
Base-Backbone interact. energy: -0.096
local terms energy: -49.962911
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -221.121923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.121923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.121923 (E_RNA)
where:
Base-Base interactions energy: -143.207
where: short stacking energy: -64.330
Base-Backbone interact. energy: -0.010
local terms energy: -77.905728
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -217.955753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.955753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.955753 (E_RNA)
where:
Base-Base interactions energy: -146.572
where: short stacking energy: -65.629
Base-Backbone interact. energy: -0.051
local terms energy: -71.332285
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -19.143
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: 285
Temperature: 1.000000
Total energy: -206.225829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.225829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.225829 (E_RNA)
where:
Base-Base interactions energy: -136.113
where: short stacking energy: -52.973
Base-Backbone interact. energy: -0.092
local terms energy: -70.020474
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -16.986
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: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -167.775940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.775940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.775940 (E_RNA)
where:
Base-Base interactions energy: -106.070
where: short stacking energy: -49.861
Base-Backbone interact. energy: -0.035
local terms energy: -61.670887
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -13.627
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: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -184.623696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.623696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.623696 (E_RNA)
where:
Base-Base interactions energy: -120.587
where: short stacking energy: -46.651
Base-Backbone interact. energy: 0.860
local terms energy: -64.897405
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -9.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -168.628861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.628861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.628861 (E_RNA)
where:
Base-Base interactions energy: -97.797
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.846
local terms energy: -69.985447
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -107.167927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.167927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.167927 (E_RNA)
where:
Base-Base interactions energy: -59.937
where: short stacking energy: -34.323
Base-Backbone interact. energy: -0.012
local terms energy: -47.218969
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -85.812985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.812985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.812985 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -29.188
Base-Backbone interact. energy: -0.203
local terms energy: -53.265151
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -0.400
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: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -81.876896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.876896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.876896 (E_RNA)
where:
Base-Base interactions energy: -25.867
where: short stacking energy: -24.233
Base-Backbone interact. energy: -0.149
local terms energy: -55.861023
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -86.921922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.921922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.921922 (E_RNA)
where:
Base-Base interactions energy: -38.402
where: short stacking energy: -19.721
Base-Backbone interact. energy: -1.026
local terms energy: -47.494481
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -227.527143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.527143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.527143 (E_RNA)
where:
Base-Base interactions energy: -144.906
where: short stacking energy: -65.661
Base-Backbone interact. energy: -0.017
local terms energy: -82.603713
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -24.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -221.176555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.176555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.176555 (E_RNA)
where:
Base-Base interactions energy: -155.258
where: short stacking energy: -58.912
Base-Backbone interact. energy: -0.070
local terms energy: -65.848235
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -204.226132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.226132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.226132 (E_RNA)
where:
Base-Base interactions energy: -138.197
where: short stacking energy: -52.693
Base-Backbone interact. energy: -0.300
local terms energy: -65.729045
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -16.721
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: 286
Temperature: 1.050000
Total energy: -165.846091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.846091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.846091 (E_RNA)
where:
Base-Base interactions energy: -103.497
where: short stacking energy: -42.776
Base-Backbone interact. energy: 0.235
local terms energy: -62.584443
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -5.811
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: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -163.266829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.266829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.266829 (E_RNA)
where:
Base-Base interactions energy: -106.028
where: short stacking energy: -50.898
Base-Backbone interact. energy: -1.356
local terms energy: -55.883180
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -6.581
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -12.055
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: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -185.717072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.717072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.717072 (E_RNA)
where:
Base-Base interactions energy: -123.691
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.040
local terms energy: -61.986778
where:
bonds (distance) C4'-P energy: -7.269
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -20.416
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: 286
Temperature: 1.200000
Total energy: -86.701193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.701193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.701193 (E_RNA)
where:
Base-Base interactions energy: -29.032
where: short stacking energy: -25.441
Base-Backbone interact. energy: -0.272
local terms energy: -57.397004
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -12.142
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: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -84.379928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.379928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.379928 (E_RNA)
where:
Base-Base interactions energy: -29.073
where: short stacking energy: -27.666
Base-Backbone interact. energy: -0.085
local terms energy: -55.222132
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -7.647
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: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -98.470110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.470110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.470110 (E_RNA)
where:
Base-Base interactions energy: -43.871
where: short stacking energy: -37.361
Base-Backbone interact. energy: -0.270
local terms energy: -54.329165
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -77.011234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.011234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.011234 (E_RNA)
where:
Base-Base interactions energy: -25.845
where: short stacking energy: -24.654
Base-Backbone interact. energy: -0.261
local terms energy: -50.905672
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -9.358
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: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -229.206190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.206190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.206190 (E_RNA)
where:
Base-Base interactions energy: -153.670
where: short stacking energy: -69.799
Base-Backbone interact. energy: -0.343
local terms energy: -75.193216
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -211.074689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.074689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.074689 (E_RNA)
where:
Base-Base interactions energy: -135.950
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.549
local terms energy: -74.575677
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -16.095
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: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -222.390869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.390869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.390869 (E_RNA)
where:
Base-Base interactions energy: -142.154
where: short stacking energy: -70.617
Base-Backbone interact. energy: -0.228
local terms energy: -80.008297
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -174.289284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.289284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.289284 (E_RNA)
where:
Base-Base interactions energy: -100.485
where: short stacking energy: -62.124
Base-Backbone interact. energy: -0.624
local terms energy: -73.180394
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -152.335459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.335459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.335459 (E_RNA)
where:
Base-Base interactions energy: -89.034
where: short stacking energy: -49.007
Base-Backbone interact. energy: 0.495
local terms energy: -63.796383
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -10.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -196.699815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.699815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.699815 (E_RNA)
where:
Base-Base interactions energy: -130.435
where: short stacking energy: -55.065
Base-Backbone interact. energy: -0.189
local terms energy: -66.075599
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -94.423006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.423006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.423006 (E_RNA)
where:
Base-Base interactions energy: -38.821
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.200
local terms energy: -55.401941
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -9.774
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: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -90.389668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.389668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.389668 (E_RNA)
where:
Base-Base interactions energy: -42.668
where: short stacking energy: -28.628
Base-Backbone interact. energy: 0.108
local terms energy: -47.829086
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -8.224
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: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -96.438645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.438645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.438645 (E_RNA)
where:
Base-Base interactions energy: -40.687
where: short stacking energy: -36.119
Base-Backbone interact. energy: -0.025
local terms energy: -55.725983
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -8.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -72.912035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.912035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.912035 (E_RNA)
where:
Base-Base interactions energy: -29.103
where: short stacking energy: -26.268
Base-Backbone interact. energy: -0.168
local terms energy: -43.640832
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -8.245
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -224.430622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.430622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.430622 (E_RNA)
where:
Base-Base interactions energy: -141.631
where: short stacking energy: -68.654
Base-Backbone interact. energy: -0.002
local terms energy: -82.798162
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -22.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -210.099296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.099296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.099296 (E_RNA)
where:
Base-Base interactions energy: -139.636
where: short stacking energy: -62.857
Base-Backbone interact. energy: -0.467
local terms energy: -69.996224
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -223.777269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.777269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.777269 (E_RNA)
where:
Base-Base interactions energy: -146.546
where: short stacking energy: -62.574
Base-Backbone interact. energy: -0.003
local terms energy: -77.228074
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -21.195
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: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -195.624636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.624636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.624636 (E_RNA)
where:
Base-Base interactions energy: -116.270
where: short stacking energy: -64.672
Base-Backbone interact. energy: -0.001
local terms energy: -79.353805
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -19.284
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: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -206.275481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.275481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.275481 (E_RNA)
where:
Base-Base interactions energy: -133.297
where: short stacking energy: -61.621
Base-Backbone interact. energy: -0.004
local terms energy: -72.974356
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -148.444241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.444241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.444241 (E_RNA)
where:
Base-Base interactions energy: -86.800
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.135
local terms energy: -61.509580
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -11.924
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: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -84.663638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.663638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.663638 (E_RNA)
where:
Base-Base interactions energy: -32.624
where: short stacking energy: -19.732
Base-Backbone interact. energy: -0.821
local terms energy: -51.218577
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -3.062
tors. eta vs tors. theta energy: -0.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -83.804791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.804791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.804791 (E_RNA)
where:
Base-Base interactions energy: -35.872
where: short stacking energy: -29.721
Base-Backbone interact. energy: -0.310
local terms energy: -47.622548
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: 0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -77.560249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.560249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.560249 (E_RNA)
where:
Base-Base interactions energy: -29.725
where: short stacking energy: -24.668
Base-Backbone interact. energy: -0.230
local terms energy: -47.605468
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: 3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -69.674240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.674240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.674240 (E_RNA)
where:
Base-Base interactions energy: -26.716
where: short stacking energy: -21.416
Base-Backbone interact. energy: 0.247
local terms energy: -43.204988
where:
bonds (distance) C4'-P energy: -8.895
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -226.284092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.284092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.284092 (E_RNA)
where:
Base-Base interactions energy: -145.303
where: short stacking energy: -65.649
Base-Backbone interact. energy: -0.152
local terms energy: -80.829203
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -22.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -212.625047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.625047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.625047 (E_RNA)
where:
Base-Base interactions energy: -145.058
where: short stacking energy: -57.368
Base-Backbone interact. energy: -0.438
local terms energy: -67.128579
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -17.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -220.821658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.821658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.821658 (E_RNA)
where:
Base-Base interactions energy: -145.659
where: short stacking energy: -56.984
Base-Backbone interact. energy: -0.529
local terms energy: -74.633192
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -198.028653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.028653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.028653 (E_RNA)
where:
Base-Base interactions energy: -124.565
where: short stacking energy: -55.125
Base-Backbone interact. energy: -0.386
local terms energy: -73.077666
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -149.727964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.727964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.727964 (E_RNA)
where:
Base-Base interactions energy: -88.805
where: short stacking energy: -44.223
Base-Backbone interact. energy: -0.854
local terms energy: -60.069911
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -11.192
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: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -153.207269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.207269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.207269 (E_RNA)
where:
Base-Base interactions energy: -94.579
where: short stacking energy: -48.821
Base-Backbone interact. energy: -0.011
local terms energy: -58.617481
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -84.555334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.555334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.555334 (E_RNA)
where:
Base-Base interactions energy: -35.301
where: short stacking energy: -31.001
Base-Backbone interact. energy: -0.461
local terms energy: -48.793047
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -10.261
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -5.021
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: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -87.011876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.011876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.011876 (E_RNA)
where:
Base-Base interactions energy: -43.249
where: short stacking energy: -42.677
Base-Backbone interact. energy: 0.685
local terms energy: -44.447438
where:
bonds (distance) C4'-P energy: -7.074
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -10.057
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: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -92.229120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.229120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.229120 (E_RNA)
where:
Base-Base interactions energy: -51.671
where: short stacking energy: -19.550
Base-Backbone interact. energy: -1.020
local terms energy: -39.538611
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -5.720
tors. eta vs tors. theta energy: 2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -83.443971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.443971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.443971 (E_RNA)
where:
Base-Base interactions energy: -28.686
where: short stacking energy: -28.303
Base-Backbone interact. energy: -0.314
local terms energy: -54.443921
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -2.453
tors. eta vs tors. theta energy: -6.480
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: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -220.668957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.668957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.668957 (E_RNA)
where:
Base-Base interactions energy: -146.641
where: short stacking energy: -64.511
Base-Backbone interact. energy: -0.046
local terms energy: -73.981693
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -217.842433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.842433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.842433 (E_RNA)
where:
Base-Base interactions energy: -138.775
where: short stacking energy: -70.831
Base-Backbone interact. energy: -0.033
local terms energy: -79.034198
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -22.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -215.941605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.941605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.941605 (E_RNA)
where:
Base-Base interactions energy: -145.896
where: short stacking energy: -61.360
Base-Backbone interact. energy: -1.308
local terms energy: -68.737387
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -13.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -192.689302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.689302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.689302 (E_RNA)
where:
Base-Base interactions energy: -122.702
where: short stacking energy: -55.106
Base-Backbone interact. energy: -0.068
local terms energy: -69.919384
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -171.478745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.478745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.478745 (E_RNA)
where:
Base-Base interactions energy: -102.527
where: short stacking energy: -43.002
Base-Backbone interact. energy: -1.225
local terms energy: -67.726850
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -10.139
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: 290
Temperature: 1.150000
Total energy: -167.192748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.192748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.192748 (E_RNA)
where:
Base-Base interactions energy: -109.205
where: short stacking energy: -52.397
Base-Backbone interact. energy: -0.007
local terms energy: -57.981102
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -94.277196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.277196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.277196 (E_RNA)
where:
Base-Base interactions energy: -37.999
where: short stacking energy: -30.938
Base-Backbone interact. energy: 0.506
local terms energy: -56.784335
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -10.339
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: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -89.151049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.151049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.151049 (E_RNA)
where:
Base-Base interactions energy: -41.351
where: short stacking energy: -34.366
Base-Backbone interact. energy: -0.006
local terms energy: -47.794178
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -2.521
tors. eta vs tors. theta energy: -10.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -84.469689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.469689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.469689 (E_RNA)
where:
Base-Base interactions energy: -23.963
where: short stacking energy: -23.130
Base-Backbone interact. energy: -0.080
local terms energy: -60.426690
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -10.931
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: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -92.294501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.294501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.294501 (E_RNA)
where:
Base-Base interactions energy: -34.397
where: short stacking energy: -33.790
Base-Backbone interact. energy: 1.116
local terms energy: -59.013310
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -7.266
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: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -215.615164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.615164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.615164 (E_RNA)
where:
Base-Base interactions energy: -138.439
where: short stacking energy: -64.127
Base-Backbone interact. energy: -1.064
local terms energy: -76.112682
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -227.443862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.443862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.443862 (E_RNA)
where:
Base-Base interactions energy: -150.573
where: short stacking energy: -63.216
Base-Backbone interact. energy: 0.033
local terms energy: -76.903789
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -19.726
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: 291
Temperature: 1.000000
Total energy: -210.999366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.999366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.999366 (E_RNA)
where:
Base-Base interactions energy: -147.178
where: short stacking energy: -63.248
Base-Backbone interact. energy: 2.299
local terms energy: -66.120563
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -196.767844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.767844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.767844 (E_RNA)
where:
Base-Base interactions energy: -131.697
where: short stacking energy: -54.283
Base-Backbone interact. energy: -0.017
local terms energy: -65.053588
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -15.352
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: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -187.552407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.552407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.552407 (E_RNA)
where:
Base-Base interactions energy: -118.201
where: short stacking energy: -56.955
Base-Backbone interact. energy: -0.008
local terms energy: -69.343838
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -152.762125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.762125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.762125 (E_RNA)
where:
Base-Base interactions energy: -97.937
where: short stacking energy: -42.293
Base-Backbone interact. energy: -0.430
local terms energy: -54.395392
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -3.369
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: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -97.632605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.632605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.632605 (E_RNA)
where:
Base-Base interactions energy: -39.348
where: short stacking energy: -31.177
Base-Backbone interact. energy: -0.219
local terms energy: -58.066011
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -89.090092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.090092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.090092 (E_RNA)
where:
Base-Base interactions energy: -46.825
where: short stacking energy: -35.396
Base-Backbone interact. energy: -0.032
local terms energy: -42.232744
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -4.607
flat angles P-C4'-P energy: -1.388
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -89.346166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.346166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.346166 (E_RNA)
where:
Base-Base interactions energy: -38.822
where: short stacking energy: -26.231
Base-Backbone interact. energy: -0.698
local terms energy: -49.826085
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -78.655563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.655563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.655563 (E_RNA)
where:
Base-Base interactions energy: -31.727
where: short stacking energy: -31.727
Base-Backbone interact. energy: 1.023
local terms energy: -47.950847
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -10.320
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: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -230.969785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.969785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.969785 (E_RNA)
where:
Base-Base interactions energy: -154.167
where: short stacking energy: -67.171
Base-Backbone interact. energy: -0.054
local terms energy: -76.748748
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -21.165
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: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -217.470509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.470509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.470509 (E_RNA)
where:
Base-Base interactions energy: -144.728
where: short stacking energy: -62.753
Base-Backbone interact. energy: 0.564
local terms energy: -73.306523
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -219.074205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.074205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.074205 (E_RNA)
where:
Base-Base interactions energy: -144.051
where: short stacking energy: -64.778
Base-Backbone interact. energy: -0.009
local terms energy: -75.015015
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -22.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -206.490308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.490308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.490308 (E_RNA)
where:
Base-Base interactions energy: -132.751
where: short stacking energy: -60.744
Base-Backbone interact. energy: -0.468
local terms energy: -73.270844
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -18.138
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: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -160.760757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.760757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.760757 (E_RNA)
where:
Base-Base interactions energy: -103.941
where: short stacking energy: -48.206
Base-Backbone interact. energy: -0.005
local terms energy: -56.814281
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -189.674555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.674555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.674555 (E_RNA)
where:
Base-Base interactions energy: -135.598
where: short stacking energy: -60.493
Base-Backbone interact. energy: 0.206
local terms energy: -54.282736
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -84.476766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.476766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.476766 (E_RNA)
where:
Base-Base interactions energy: -23.771
where: short stacking energy: -23.771
Base-Backbone interact. energy: -0.073
local terms energy: -60.632021
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -87.561712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.561712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.561712 (E_RNA)
where:
Base-Base interactions energy: -32.977
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.029
local terms energy: -54.555202
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -83.267001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.267001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.267001 (E_RNA)
where:
Base-Base interactions energy: -37.263
where: short stacking energy: -37.263
Base-Backbone interact. energy: -0.083
local terms energy: -45.921362
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -8.061
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -71.116542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.116542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.116542 (E_RNA)
where:
Base-Base interactions energy: -26.154
where: short stacking energy: -13.149
Base-Backbone interact. energy: -1.063
local terms energy: -43.899084
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -6.044
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: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -228.847879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.847879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.847879 (E_RNA)
where:
Base-Base interactions energy: -145.603
where: short stacking energy: -64.791
Base-Backbone interact. energy: -0.470
local terms energy: -82.775166
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -20.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -214.041624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.041624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.041624 (E_RNA)
where:
Base-Base interactions energy: -148.555
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.127
local terms energy: -65.360153
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -204.552025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.552025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.552025 (E_RNA)
where:
Base-Base interactions energy: -136.960
where: short stacking energy: -60.733
Base-Backbone interact. energy: -0.048
local terms energy: -67.543582
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -172.604910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.604910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.604910 (E_RNA)
where:
Base-Base interactions energy: -99.405
where: short stacking energy: -50.268
Base-Backbone interact. energy: -0.007
local terms energy: -73.192457
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -200.059875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.059875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.059875 (E_RNA)
where:
Base-Base interactions energy: -128.142
where: short stacking energy: -59.446
Base-Backbone interact. energy: -0.727
local terms energy: -71.190861
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -19.670
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: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -192.486214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.486214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.486214 (E_RNA)
where:
Base-Base interactions energy: -127.341
where: short stacking energy: -48.392
Base-Backbone interact. energy: -0.156
local terms energy: -64.989275
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -83.725513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.725513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.725513 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -24.908
Base-Backbone interact. energy: -0.487
local terms energy: -48.686093
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -80.831470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.831470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.831470 (E_RNA)
where:
Base-Base interactions energy: -28.762
where: short stacking energy: -27.603
Base-Backbone interact. energy: -0.031
local terms energy: -52.038863
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -79.850740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.850740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.850740 (E_RNA)
where:
Base-Base interactions energy: -34.503
where: short stacking energy: -26.734
Base-Backbone interact. energy: -0.064
local terms energy: -45.283751
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: 1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -81.553442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.553442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.553442 (E_RNA)
where:
Base-Base interactions energy: -29.845
where: short stacking energy: -28.587
Base-Backbone interact. energy: -0.172
local terms energy: -51.535880
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -7.991
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: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -217.711916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.711916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.711916 (E_RNA)
where:
Base-Base interactions energy: -143.528
where: short stacking energy: -64.208
Base-Backbone interact. energy: -0.206
local terms energy: -73.978273
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -221.319185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.319185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.319185 (E_RNA)
where:
Base-Base interactions energy: -145.223
where: short stacking energy: -62.699
Base-Backbone interact. energy: 0.287
local terms energy: -76.383269
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -218.132494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.132494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.132494 (E_RNA)
where:
Base-Base interactions energy: -143.730
where: short stacking energy: -62.242
Base-Backbone interact. energy: -0.581
local terms energy: -73.821843
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -184.148395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.148395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.148395 (E_RNA)
where:
Base-Base interactions energy: -119.001
where: short stacking energy: -48.475
Base-Backbone interact. energy: -0.046
local terms energy: -65.100849
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -8.654
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: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -178.894944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.894944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.894944 (E_RNA)
where:
Base-Base interactions energy: -118.457
where: short stacking energy: -54.209
Base-Backbone interact. energy: -0.007
local terms energy: -60.430566
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -10.435
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -11.012
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: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -178.365843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.365843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.365843 (E_RNA)
where:
Base-Base interactions energy: -109.285
where: short stacking energy: -47.899
Base-Backbone interact. energy: -0.051
local terms energy: -69.029841
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -82.466447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.466447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.466447 (E_RNA)
where:
Base-Base interactions energy: -31.259
where: short stacking energy: -30.475
Base-Backbone interact. energy: 1.038
local terms energy: -52.245785
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -1.825
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -91.741991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.741991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.741991 (E_RNA)
where:
Base-Base interactions energy: -47.164
where: short stacking energy: -31.588
Base-Backbone interact. energy: -0.280
local terms energy: -44.298593
where:
bonds (distance) C4'-P energy: -8.373
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -7.385
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: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -87.135617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.135617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.135617 (E_RNA)
where:
Base-Base interactions energy: -35.169
where: short stacking energy: -35.169
Base-Backbone interact. energy: -0.076
local terms energy: -51.890395
where:
bonds (distance) C4'-P energy: -6.308
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -70.409673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.409673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.409673 (E_RNA)
where:
Base-Base interactions energy: -21.437
where: short stacking energy: -16.400
Base-Backbone interact. energy: -0.236
local terms energy: -48.736914
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -220.006593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.006593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.006593 (E_RNA)
where:
Base-Base interactions energy: -147.475
where: short stacking energy: -65.143
Base-Backbone interact. energy: -0.002
local terms energy: -72.529699
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -20.529
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: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -222.243074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.243074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.243074 (E_RNA)
where:
Base-Base interactions energy: -143.756
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.294
local terms energy: -78.193378
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -16.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -206.657010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.657010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.657010 (E_RNA)
where:
Base-Base interactions energy: -137.054
where: short stacking energy: -58.574
Base-Backbone interact. energy: -0.123
local terms energy: -69.479626
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -193.769866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.769866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.769866 (E_RNA)
where:
Base-Base interactions energy: -126.226
where: short stacking energy: -47.236
Base-Backbone interact. energy: -0.077
local terms energy: -67.467108
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -212.110941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.110941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.110941 (E_RNA)
where:
Base-Base interactions energy: -144.333
where: short stacking energy: -67.323
Base-Backbone interact. energy: -0.008
local terms energy: -67.769741
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -188.994672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.994672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.994672 (E_RNA)
where:
Base-Base interactions energy: -114.022
where: short stacking energy: -63.971
Base-Backbone interact. energy: -0.007
local terms energy: -74.966132
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -21.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -96.515451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.515451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.515451 (E_RNA)
where:
Base-Base interactions energy: -42.651
where: short stacking energy: -29.623
Base-Backbone interact. energy: -0.103
local terms energy: -53.762201
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -81.870939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.870939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.870939 (E_RNA)
where:
Base-Base interactions energy: -28.306
where: short stacking energy: -28.306
Base-Backbone interact. energy: -0.059
local terms energy: -53.505824
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -4.013
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: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -80.231859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.231859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.231859 (E_RNA)
where:
Base-Base interactions energy: -41.780
where: short stacking energy: -19.934
Base-Backbone interact. energy: -0.054
local terms energy: -38.398725
where:
bonds (distance) C4'-P energy: -7.445
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: 1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -72.369392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.369392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.369392 (E_RNA)
where:
Base-Base interactions energy: -34.945
where: short stacking energy: -25.390
Base-Backbone interact. energy: -0.078
local terms energy: -37.346619
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -8.348
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: 5.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -227.141579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.141579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.141579 (E_RNA)
where:
Base-Base interactions energy: -148.577
where: short stacking energy: -53.949
Base-Backbone interact. energy: -0.004
local terms energy: -78.560398
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -215.943414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.943414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.943414 (E_RNA)
where:
Base-Base interactions energy: -148.128
where: short stacking energy: -69.235
Base-Backbone interact. energy: 0.226
local terms energy: -68.041480
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -18.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -203.031960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.031960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.031960 (E_RNA)
where:
Base-Base interactions energy: -132.971
where: short stacking energy: -57.298
Base-Backbone interact. energy: -0.097
local terms energy: -69.964052
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -215.865275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.865275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.865275 (E_RNA)
where:
Base-Base interactions energy: -142.942
where: short stacking energy: -52.205
Base-Backbone interact. energy: -0.049
local terms energy: -72.874522
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -200.509993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.509993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.509993 (E_RNA)
where:
Base-Base interactions energy: -133.062
where: short stacking energy: -47.457
Base-Backbone interact. energy: 0.390
local terms energy: -67.837682
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -190.355055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.355055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.355055 (E_RNA)
where:
Base-Base interactions energy: -123.262
where: short stacking energy: -52.076
Base-Backbone interact. energy: -0.459
local terms energy: -66.633279
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -16.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -85.626082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.626082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.626082 (E_RNA)
where:
Base-Base interactions energy: -31.023
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.164
local terms energy: -54.439032
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -11.514
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: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -88.298378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.298378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.298378 (E_RNA)
where:
Base-Base interactions energy: -40.687
where: short stacking energy: -31.053
Base-Backbone interact. energy: 0.041
local terms energy: -47.652215
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -2.093
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -82.547274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.547274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.547274 (E_RNA)
where:
Base-Base interactions energy: -35.963
where: short stacking energy: -24.584
Base-Backbone interact. energy: -0.205
local terms energy: -46.379783
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -85.541510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.541510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.541510 (E_RNA)
where:
Base-Base interactions energy: -36.521
where: short stacking energy: -33.450
Base-Backbone interact. energy: 0.587
local terms energy: -49.607297
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: 0.764
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -223.421381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.421381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.421381 (E_RNA)
where:
Base-Base interactions energy: -146.636
where: short stacking energy: -66.776
Base-Backbone interact. energy: -0.183
local terms energy: -76.601627
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -23.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -215.714766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.714766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.714766 (E_RNA)
where:
Base-Base interactions energy: -141.762
where: short stacking energy: -63.601
Base-Backbone interact. energy: -0.432
local terms energy: -73.520614
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -200.436229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.436229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.436229 (E_RNA)
where:
Base-Base interactions energy: -135.197
where: short stacking energy: -56.062
Base-Backbone interact. energy: -0.931
local terms energy: -64.308454
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -200.339034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.339034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.339034 (E_RNA)
where:
Base-Base interactions energy: -133.157
where: short stacking energy: -54.403
Base-Backbone interact. energy: -0.123
local terms energy: -67.059409
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -202.732566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.732566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.732566 (E_RNA)
where:
Base-Base interactions energy: -141.237
where: short stacking energy: -64.868
Base-Backbone interact. energy: 0.676
local terms energy: -62.172236
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -182.599717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.599717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.599717 (E_RNA)
where:
Base-Base interactions energy: -119.442
where: short stacking energy: -52.479
Base-Backbone interact. energy: -0.252
local terms energy: -62.905611
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -8.429
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -98.963339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.963339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.963339 (E_RNA)
where:
Base-Base interactions energy: -38.240
where: short stacking energy: -35.201
Base-Backbone interact. energy: -0.364
local terms energy: -60.359067
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -85.126185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.126185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.126185 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -16.046
Base-Backbone interact. energy: -0.089
local terms energy: -48.585454
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -8.055
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: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -74.531521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.531521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.531521 (E_RNA)
where:
Base-Base interactions energy: -18.552
where: short stacking energy: -18.652
Base-Backbone interact. energy: -0.189
local terms energy: -55.790694
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -5.554
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: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -78.266447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.266447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.266447 (E_RNA)
where:
Base-Base interactions energy: -32.170
where: short stacking energy: -28.241
Base-Backbone interact. energy: 2.486
local terms energy: -48.582886
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -4.528
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -216.566810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.566810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.566810 (E_RNA)
where:
Base-Base interactions energy: -138.113
where: short stacking energy: -66.248
Base-Backbone interact. energy: -0.001
local terms energy: -78.452858
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -21.694
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: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -227.388901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.388901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.388901 (E_RNA)
where:
Base-Base interactions energy: -147.993
where: short stacking energy: -63.122
Base-Backbone interact. energy: -0.676
local terms energy: -78.719724
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -206.272715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.272715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.272715 (E_RNA)
where:
Base-Base interactions energy: -135.269
where: short stacking energy: -56.301
Base-Backbone interact. energy: -0.722
local terms energy: -70.281863
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -205.751554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.751554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.751554 (E_RNA)
where:
Base-Base interactions energy: -138.434
where: short stacking energy: -53.173
Base-Backbone interact. energy: 1.855
local terms energy: -69.172183
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -14.780
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: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -173.255729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.255729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.255729 (E_RNA)
where:
Base-Base interactions energy: -108.523
where: short stacking energy: -39.928
Base-Backbone interact. energy: -0.262
local terms energy: -64.470699
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -193.747196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.747196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.747196 (E_RNA)
where:
Base-Base interactions energy: -137.779
where: short stacking energy: -40.901
Base-Backbone interact. energy: -0.232
local terms energy: -55.736276
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -86.814908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.814908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.814908 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -34.811
Base-Backbone interact. energy: -0.565
local terms energy: -46.487702
where:
bonds (distance) C4'-P energy: -6.129
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -6.968
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: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -75.483747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.483747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.483747 (E_RNA)
where:
Base-Base interactions energy: -25.828
where: short stacking energy: -23.011
Base-Backbone interact. energy: -0.300
local terms energy: -49.355442
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -8.648
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: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -87.996481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.996481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.996481 (E_RNA)
where:
Base-Base interactions energy: -38.254
where: short stacking energy: -33.218
Base-Backbone interact. energy: 1.468
local terms energy: -51.210447
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -74.439711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.439711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.439711 (E_RNA)
where:
Base-Base interactions energy: -23.210
where: short stacking energy: -21.915
Base-Backbone interact. energy: 1.030
local terms energy: -52.259222
where:
bonds (distance) C4'-P energy: -8.814
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -9.487
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: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -218.859441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.859441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.859441 (E_RNA)
where:
Base-Base interactions energy: -141.406
where: short stacking energy: -66.824
Base-Backbone interact. energy: -0.005
local terms energy: -77.448342
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -22.385
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: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -208.993178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.993178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.993178 (E_RNA)
where:
Base-Base interactions energy: -137.080
where: short stacking energy: -70.734
Base-Backbone interact. energy: -0.039
local terms energy: -71.874148
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -219.666607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.666607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.666607 (E_RNA)
where:
Base-Base interactions energy: -147.636
where: short stacking energy: -50.435
Base-Backbone interact. energy: -0.112
local terms energy: -71.918722
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -198.981762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.981762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.981762 (E_RNA)
where:
Base-Base interactions energy: -135.128
where: short stacking energy: -59.302
Base-Backbone interact. energy: -0.006
local terms energy: -63.847158
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -205.688810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.688810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.688810 (E_RNA)
where:
Base-Base interactions energy: -143.389
where: short stacking energy: -53.213
Base-Backbone interact. energy: -0.025
local terms energy: -62.274225
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -184.995503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.995503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.995503 (E_RNA)
where:
Base-Base interactions energy: -121.653
where: short stacking energy: -53.556
Base-Backbone interact. energy: -0.118
local terms energy: -63.223965
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -96.298030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.298030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.298030 (E_RNA)
where:
Base-Base interactions energy: -41.258
where: short stacking energy: -36.418
Base-Backbone interact. energy: 1.643
local terms energy: -56.683128
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -5.345
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: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -87.079524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.079524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.079524 (E_RNA)
where:
Base-Base interactions energy: -35.067
where: short stacking energy: -35.067
Base-Backbone interact. energy: -0.128
local terms energy: -51.884387
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -8.160
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: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -91.878373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.878373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.878373 (E_RNA)
where:
Base-Base interactions energy: -42.770
where: short stacking energy: -25.044
Base-Backbone interact. energy: -0.130
local terms energy: -48.978027
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -78.654143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.654143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.654143 (E_RNA)
where:
Base-Base interactions energy: -30.121
where: short stacking energy: -30.121
Base-Backbone interact. energy: 1.097
local terms energy: -49.630485
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -3.899
tors. eta vs tors. theta energy: -9.611
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: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -228.473294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.473294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.473294 (E_RNA)
where:
Base-Base interactions energy: -147.501
where: short stacking energy: -70.586
Base-Backbone interact. energy: -0.083
local terms energy: -80.888382
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -214.405030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.405030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.405030 (E_RNA)
where:
Base-Base interactions energy: -148.225
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.099
local terms energy: -66.081476
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -219.677882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.677882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.677882 (E_RNA)
where:
Base-Base interactions energy: -136.032
where: short stacking energy: -69.747
Base-Backbone interact. energy: -0.931
local terms energy: -82.714838
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -223.988239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.988239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.988239 (E_RNA)
where:
Base-Base interactions energy: -151.823
where: short stacking energy: -60.946
Base-Backbone interact. energy: -0.045
local terms energy: -72.120346
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -20.041
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: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -215.563670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.563670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.563670 (E_RNA)
where:
Base-Base interactions energy: -147.245
where: short stacking energy: -61.044
Base-Backbone interact. energy: 0.056
local terms energy: -68.374323
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -186.820120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.820120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.820120 (E_RNA)
where:
Base-Base interactions energy: -121.192
where: short stacking energy: -46.545
Base-Backbone interact. energy: -1.170
local terms energy: -64.457808
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -12.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -90.862751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.862751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.862751 (E_RNA)
where:
Base-Base interactions energy: -30.139
where: short stacking energy: -30.139
Base-Backbone interact. energy: -0.219
local terms energy: -60.504226
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -96.633831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.633831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.633831 (E_RNA)
where:
Base-Base interactions energy: -39.255
where: short stacking energy: -26.933
Base-Backbone interact. energy: -0.114
local terms energy: -57.264520
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -7.607
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: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -86.917185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.917185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.917185 (E_RNA)
where:
Base-Base interactions energy: -38.786
where: short stacking energy: -27.398
Base-Backbone interact. energy: -0.109
local terms energy: -48.022155
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -83.076365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.076365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.076365 (E_RNA)
where:
Base-Base interactions energy: -35.892
where: short stacking energy: -31.048
Base-Backbone interact. energy: -0.051
local terms energy: -47.133253
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -223.819253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.819253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.819253 (E_RNA)
where:
Base-Base interactions energy: -142.175
where: short stacking energy: -71.103
Base-Backbone interact. energy: 1.431
local terms energy: -83.075508
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -23.474
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: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -230.650750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.650750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.650750 (E_RNA)
where:
Base-Base interactions energy: -153.614
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.722
local terms energy: -76.314762
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -17.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -214.817169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.817169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.817169 (E_RNA)
where:
Base-Base interactions energy: -147.395
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.121
local terms energy: -67.301268
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -17.112
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: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -201.595042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.595042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.595042 (E_RNA)
where:
Base-Base interactions energy: -131.850
where: short stacking energy: -64.568
Base-Backbone interact. energy: -0.667
local terms energy: -69.077532
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -15.822
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: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -199.180952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.180952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.180952 (E_RNA)
where:
Base-Base interactions energy: -138.877
where: short stacking energy: -44.074
Base-Backbone interact. energy: -0.085
local terms energy: -60.218743
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -11.695
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: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -196.240801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.240801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.240801 (E_RNA)
where:
Base-Base interactions energy: -126.219
where: short stacking energy: -57.387
Base-Backbone interact. energy: -1.561
local terms energy: -68.460747
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -90.015458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.015458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.015458 (E_RNA)
where:
Base-Base interactions energy: -39.784
where: short stacking energy: -29.812
Base-Backbone interact. energy: -0.005
local terms energy: -50.226579
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -82.406151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.406151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.406151 (E_RNA)
where:
Base-Base interactions energy: -33.506
where: short stacking energy: -20.484
Base-Backbone interact. energy: -0.346
local terms energy: -48.554437
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: 1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -76.289040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.289040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.289040 (E_RNA)
where:
Base-Base interactions energy: -26.433
where: short stacking energy: -25.131
Base-Backbone interact. energy: -0.705
local terms energy: -49.151370
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -81.333780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.333780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.333780 (E_RNA)
where:
Base-Base interactions energy: -45.210
where: short stacking energy: -23.895
Base-Backbone interact. energy: -0.325
local terms energy: -35.798931
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: 0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -221.690545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.690545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.690545 (E_RNA)
where:
Base-Base interactions energy: -152.193
where: short stacking energy: -57.534
Base-Backbone interact. energy: -0.413
local terms energy: -69.084412
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -225.759020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.759020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.759020 (E_RNA)
where:
Base-Base interactions energy: -139.444
where: short stacking energy: -67.774
Base-Backbone interact. energy: -0.871
local terms energy: -85.443954
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -23.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -210.884304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.884304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.884304 (E_RNA)
where:
Base-Base interactions energy: -138.816
where: short stacking energy: -63.909
Base-Backbone interact. energy: -0.278
local terms energy: -71.790501
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -212.180592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.180592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.180592 (E_RNA)
where:
Base-Base interactions energy: -142.789
where: short stacking energy: -59.110
Base-Backbone interact. energy: -0.151
local terms energy: -69.240037
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -189.791941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.791941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.791941 (E_RNA)
where:
Base-Base interactions energy: -126.771
where: short stacking energy: -38.235
Base-Backbone interact. energy: -0.647
local terms energy: -62.374248
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -11.469
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: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -183.865020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.865020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.865020 (E_RNA)
where:
Base-Base interactions energy: -125.539
where: short stacking energy: -56.883
Base-Backbone interact. energy: -0.038
local terms energy: -58.288743
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -92.457303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.457303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.457303 (E_RNA)
where:
Base-Base interactions energy: -37.932
where: short stacking energy: -37.932
Base-Backbone interact. energy: -0.014
local terms energy: -54.511961
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -88.118976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.118976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.118976 (E_RNA)
where:
Base-Base interactions energy: -36.421
where: short stacking energy: -35.374
Base-Backbone interact. energy: -0.277
local terms energy: -51.421514
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -6.490
flat angles P-C4'-P energy: -6.051
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: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -75.458804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.458804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.458804 (E_RNA)
where:
Base-Base interactions energy: -31.250
where: short stacking energy: -29.084
Base-Backbone interact. energy: -0.019
local terms energy: -44.189601
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -79.458580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.458580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.458580 (E_RNA)
where:
Base-Base interactions energy: -29.092
where: short stacking energy: -22.188
Base-Backbone interact. energy: -1.050
local terms energy: -49.316928
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -229.105061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.105061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.105061 (E_RNA)
where:
Base-Base interactions energy: -153.512
where: short stacking energy: -60.328
Base-Backbone interact. energy: -0.001
local terms energy: -75.591903
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -217.985458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.985458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.985458 (E_RNA)
where:
Base-Base interactions energy: -144.655
where: short stacking energy: -67.290
Base-Backbone interact. energy: -0.601
local terms energy: -72.729039
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -196.660745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.660745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.660745 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -51.133
Base-Backbone interact. energy: -0.663
local terms energy: -59.694402
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -13.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -211.304323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.304323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.304323 (E_RNA)
where:
Base-Base interactions energy: -142.491
where: short stacking energy: -58.616
Base-Backbone interact. energy: -0.032
local terms energy: -68.780833
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -182.851537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.851537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.851537 (E_RNA)
where:
Base-Base interactions energy: -115.370
where: short stacking energy: -40.438
Base-Backbone interact. energy: -0.606
local terms energy: -66.874799
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -186.934653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.934653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.934653 (E_RNA)
where:
Base-Base interactions energy: -118.477
where: short stacking energy: -58.305
Base-Backbone interact. energy: -0.090
local terms energy: -68.367780
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -91.811523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.811523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.811523 (E_RNA)
where:
Base-Base interactions energy: -37.528
where: short stacking energy: -37.196
Base-Backbone interact. energy: -0.714
local terms energy: -53.569857
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -9.510
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -9.911
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: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -82.621249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.621249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.621249 (E_RNA)
where:
Base-Base interactions energy: -31.301
where: short stacking energy: -31.301
Base-Backbone interact. energy: -0.037
local terms energy: -51.283209
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -3.231
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: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -76.955892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.955892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.955892 (E_RNA)
where:
Base-Base interactions energy: -39.455
where: short stacking energy: -30.233
Base-Backbone interact. energy: -0.174
local terms energy: -37.327285
where:
bonds (distance) C4'-P energy: -8.598
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -4.760
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -78.839038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.839038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.839038 (E_RNA)
where:
Base-Base interactions energy: -29.738
where: short stacking energy: -28.528
Base-Backbone interact. energy: -0.261
local terms energy: -48.840663
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -223.009900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.009900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.009900 (E_RNA)
where:
Base-Base interactions energy: -144.698
where: short stacking energy: -69.767
Base-Backbone interact. energy: 0.669
local terms energy: -78.980044
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -20.227
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: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -220.884111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.884111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.884111 (E_RNA)
where:
Base-Base interactions energy: -152.877
where: short stacking energy: -58.473
Base-Backbone interact. energy: -0.002
local terms energy: -68.005203
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -205.828695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.828695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.828695 (E_RNA)
where:
Base-Base interactions energy: -138.969
where: short stacking energy: -59.606
Base-Backbone interact. energy: -0.068
local terms energy: -66.792588
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -197.606772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.606772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.606772 (E_RNA)
where:
Base-Base interactions energy: -130.532
where: short stacking energy: -66.164
Base-Backbone interact. energy: -0.003
local terms energy: -67.072295
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -14.156
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: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -184.998656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.998656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.998656 (E_RNA)
where:
Base-Base interactions energy: -117.807
where: short stacking energy: -50.403
Base-Backbone interact. energy: -0.173
local terms energy: -67.018985
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -15.347
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: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -188.821408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.821408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.821408 (E_RNA)
where:
Base-Base interactions energy: -125.802
where: short stacking energy: -54.000
Base-Backbone interact. energy: 0.244
local terms energy: -63.264010
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -85.609204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.609204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.609204 (E_RNA)
where:
Base-Base interactions energy: -32.307
where: short stacking energy: -29.419
Base-Backbone interact. energy: -0.460
local terms energy: -52.841797
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: 0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -88.891531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.891531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.891531 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -24.976
Base-Backbone interact. energy: -0.085
local terms energy: -51.284179
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -1.354
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: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -77.729092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.729092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.729092 (E_RNA)
where:
Base-Base interactions energy: -36.413
where: short stacking energy: -29.408
Base-Backbone interact. energy: -0.674
local terms energy: -40.641769
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -10.635
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: 2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -75.990617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.990617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.990617 (E_RNA)
where:
Base-Base interactions energy: -28.679
where: short stacking energy: -28.161
Base-Backbone interact. energy: -0.354
local terms energy: -46.957070
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: 0.895
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: 305
Temperature: 0.900000
Total energy: -225.946234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.946234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.946234 (E_RNA)
where:
Base-Base interactions energy: -150.949
where: short stacking energy: -62.072
Base-Backbone interact. energy: -0.005
local terms energy: -74.992529
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -21.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -221.417359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.417359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.417359 (E_RNA)
where:
Base-Base interactions energy: -148.255
where: short stacking energy: -58.812
Base-Backbone interact. energy: -0.001
local terms energy: -73.160690
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -211.366878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.366878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.366878 (E_RNA)
where:
Base-Base interactions energy: -138.961
where: short stacking energy: -64.561
Base-Backbone interact. energy: 0.493
local terms energy: -72.898617
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -23.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -209.622285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.622285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.622285 (E_RNA)
where:
Base-Base interactions energy: -141.190
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.290
local terms energy: -68.142754
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -193.469035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.469035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.469035 (E_RNA)
where:
Base-Base interactions energy: -125.536
where: short stacking energy: -53.894
Base-Backbone interact. energy: -0.026
local terms energy: -67.906703
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -15.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -184.366560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.366560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.366560 (E_RNA)
where:
Base-Base interactions energy: -114.416
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.001
local terms energy: -69.950240
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -97.755618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.755618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.755618 (E_RNA)
where:
Base-Base interactions energy: -41.655
where: short stacking energy: -33.605
Base-Backbone interact. energy: -0.050
local terms energy: -56.050513
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -7.811
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: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -82.449873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.449873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.449873 (E_RNA)
where:
Base-Base interactions energy: -31.786
where: short stacking energy: -27.497
Base-Backbone interact. energy: -0.295
local terms energy: -50.369467
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -80.962313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.962313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.962313 (E_RNA)
where:
Base-Base interactions energy: -26.123
where: short stacking energy: -26.123
Base-Backbone interact. energy: -0.061
local terms energy: -54.777593
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -7.726
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: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -71.305021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.305021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.305021 (E_RNA)
where:
Base-Base interactions energy: -22.888
where: short stacking energy: -14.563
Base-Backbone interact. energy: -0.167
local terms energy: -48.249795
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: 0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -219.321468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.321468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.321468 (E_RNA)
where:
Base-Base interactions energy: -146.393
where: short stacking energy: -61.751
Base-Backbone interact. energy: -0.029
local terms energy: -72.898845
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -217.852649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.852649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.852649 (E_RNA)
where:
Base-Base interactions energy: -146.310
where: short stacking energy: -62.952
Base-Backbone interact. energy: -0.000
local terms energy: -71.542697
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -18.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -212.456234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.456234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.456234 (E_RNA)
where:
Base-Base interactions energy: -133.445
where: short stacking energy: -56.304
Base-Backbone interact. energy: -0.033
local terms energy: -78.978102
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -197.903854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.903854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.903854 (E_RNA)
where:
Base-Base interactions energy: -131.438
where: short stacking energy: -53.072
Base-Backbone interact. energy: 0.036
local terms energy: -66.501843
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -185.569461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.569461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.569461 (E_RNA)
where:
Base-Base interactions energy: -121.727
where: short stacking energy: -48.975
Base-Backbone interact. energy: 0.089
local terms energy: -63.931349
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -10.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -205.686374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.686374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.686374 (E_RNA)
where:
Base-Base interactions energy: -126.245
where: short stacking energy: -59.400
Base-Backbone interact. energy: -1.098
local terms energy: -78.343758
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -21.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -94.952236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.952236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.952236 (E_RNA)
where:
Base-Base interactions energy: -35.977
where: short stacking energy: -35.977
Base-Backbone interact. energy: -0.069
local terms energy: -58.906333
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -9.372
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: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -88.797755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.797755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.797755 (E_RNA)
where:
Base-Base interactions energy: -37.181
where: short stacking energy: -29.099
Base-Backbone interact. energy: -0.171
local terms energy: -51.445744
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -6.521
flat angles P-C4'-P energy: -6.743
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: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -76.746179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.746179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.746179 (E_RNA)
where:
Base-Base interactions energy: -24.574
where: short stacking energy: -24.574
Base-Backbone interact. energy: -0.045
local terms energy: -52.126870
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -7.165
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: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -75.186302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.186302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.186302 (E_RNA)
where:
Base-Base interactions energy: -31.164
where: short stacking energy: -25.670
Base-Backbone interact. energy: 1.238
local terms energy: -45.260343
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -3.996
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: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -216.896148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.896148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.896148 (E_RNA)
where:
Base-Base interactions energy: -142.046
where: short stacking energy: -53.294
Base-Backbone interact. energy: -0.004
local terms energy: -74.846265
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -222.109211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.109211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.109211 (E_RNA)
where:
Base-Base interactions energy: -144.180
where: short stacking energy: -59.528
Base-Backbone interact. energy: -0.022
local terms energy: -77.907694
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -197.395330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.395330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.395330 (E_RNA)
where:
Base-Base interactions energy: -136.660
where: short stacking energy: -58.416
Base-Backbone interact. energy: -0.003
local terms energy: -60.732546
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -192.980643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.980643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.980643 (E_RNA)
where:
Base-Base interactions energy: -132.924
where: short stacking energy: -56.359
Base-Backbone interact. energy: -0.366
local terms energy: -59.690768
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -205.654483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.654483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.654483 (E_RNA)
where:
Base-Base interactions energy: -133.390
where: short stacking energy: -56.636
Base-Backbone interact. energy: -0.463
local terms energy: -71.801405
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -17.481
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: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -97.868632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.868632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.868632 (E_RNA)
where:
Base-Base interactions energy: -36.765
where: short stacking energy: -28.907
Base-Backbone interact. energy: -0.154
local terms energy: -60.949554
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -11.692
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: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -202.693726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.693726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.693726 (E_RNA)
where:
Base-Base interactions energy: -134.105
where: short stacking energy: -60.050
Base-Backbone interact. energy: -0.035
local terms energy: -68.553339
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -22.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -92.812713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.812713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.812713 (E_RNA)
where:
Base-Base interactions energy: -47.454
where: short stacking energy: -24.946
Base-Backbone interact. energy: -0.374
local terms energy: -44.984914
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -76.223675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.223675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.223675 (E_RNA)
where:
Base-Base interactions energy: -22.009
where: short stacking energy: -19.099
Base-Backbone interact. energy: -0.124
local terms energy: -54.091484
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -9.151
flat angles P-C4'-P energy: -7.057
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: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -89.120510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.120510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.120510 (E_RNA)
where:
Base-Base interactions energy: -32.222
where: short stacking energy: -32.222
Base-Backbone interact. energy: -0.142
local terms energy: -56.756488
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -227.937863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.937863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.937863 (E_RNA)
where:
Base-Base interactions energy: -151.695
where: short stacking energy: -77.490
Base-Backbone interact. energy: -0.394
local terms energy: -75.848957
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -21.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -210.607316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.607316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.607316 (E_RNA)
where:
Base-Base interactions energy: -140.967
where: short stacking energy: -65.755
Base-Backbone interact. energy: -0.054
local terms energy: -69.585705
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -218.096051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.096051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.096051 (E_RNA)
where:
Base-Base interactions energy: -155.746
where: short stacking energy: -56.348
Base-Backbone interact. energy: -0.075
local terms energy: -62.274824
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -199.207765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.207765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.207765 (E_RNA)
where:
Base-Base interactions energy: -137.281
where: short stacking energy: -49.936
Base-Backbone interact. energy: -0.087
local terms energy: -61.839755
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -208.192568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.192568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.192568 (E_RNA)
where:
Base-Base interactions energy: -133.721
where: short stacking energy: -53.830
Base-Backbone interact. energy: -0.017
local terms energy: -74.454289
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -145.731437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.731437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.731437 (E_RNA)
where:
Base-Base interactions energy: -86.375
where: short stacking energy: -49.069
Base-Backbone interact. energy: 1.834
local terms energy: -61.189949
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -190.620617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.620617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.620617 (E_RNA)
where:
Base-Base interactions energy: -121.088
where: short stacking energy: -58.403
Base-Backbone interact. energy: -0.580
local terms energy: -68.952275
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -19.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -92.564312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.564312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.564312 (E_RNA)
where:
Base-Base interactions energy: -45.282
where: short stacking energy: -22.382
Base-Backbone interact. energy: -0.444
local terms energy: -46.837518
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -95.119797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.119797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.119797 (E_RNA)
where:
Base-Base interactions energy: -38.694
where: short stacking energy: -27.213
Base-Backbone interact. energy: -0.522
local terms energy: -55.903309
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -84.143801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.143801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.143801 (E_RNA)
where:
Base-Base interactions energy: -29.717
where: short stacking energy: -29.022
Base-Backbone interact. energy: -0.139
local terms energy: -54.287516
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -9.505
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: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -229.920489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.920489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.920489 (E_RNA)
where:
Base-Base interactions energy: -140.488
where: short stacking energy: -65.216
Base-Backbone interact. energy: -0.003
local terms energy: -89.430158
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -24.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -233.090958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.090958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.090958 (E_RNA)
where:
Base-Base interactions energy: -163.424
where: short stacking energy: -60.090
Base-Backbone interact. energy: -0.075
local terms energy: -69.591550
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -221.996970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.996970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.996970 (E_RNA)
where:
Base-Base interactions energy: -155.426
where: short stacking energy: -46.527
Base-Backbone interact. energy: -0.064
local terms energy: -66.507195
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -225.425502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.425502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.425502 (E_RNA)
where:
Base-Base interactions energy: -150.891
where: short stacking energy: -57.570
Base-Backbone interact. energy: -0.271
local terms energy: -74.263525
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -198.597020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.597020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.597020 (E_RNA)
where:
Base-Base interactions energy: -135.148
where: short stacking energy: -51.908
Base-Backbone interact. energy: -0.003
local terms energy: -63.445875
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -211.990306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.990306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.990306 (E_RNA)
where:
Base-Base interactions energy: -141.499
where: short stacking energy: -64.873
Base-Backbone interact. energy: -0.393
local terms energy: -70.098605
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -20.446
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: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -161.070663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.070663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.070663 (E_RNA)
where:
Base-Base interactions energy: -93.898
where: short stacking energy: -50.380
Base-Backbone interact. energy: -1.369
local terms energy: -65.803899
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -84.469947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.469947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.469947 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -36.843
Base-Backbone interact. energy: -0.083
local terms energy: -47.543854
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -9.317
flat angles P-C4'-P energy: -9.203
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: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -76.289873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.289873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.289873 (E_RNA)
where:
Base-Base interactions energy: -18.639
where: short stacking energy: -15.229
Base-Backbone interact. energy: -0.393
local terms energy: -57.257904
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: 1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -81.910878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.910878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.910878 (E_RNA)
where:
Base-Base interactions energy: -32.614
where: short stacking energy: -30.888
Base-Backbone interact. energy: 0.528
local terms energy: -49.824216
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -224.280884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.280884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.280884 (E_RNA)
where:
Base-Base interactions energy: -140.955
where: short stacking energy: -68.231
Base-Backbone interact. energy: -0.018
local terms energy: -83.307589
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -219.692480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.692480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.692480 (E_RNA)
where:
Base-Base interactions energy: -148.969
where: short stacking energy: -59.027
Base-Backbone interact. energy: -0.057
local terms energy: -70.666825
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -211.418600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.418600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.418600 (E_RNA)
where:
Base-Base interactions energy: -134.454
where: short stacking energy: -53.035
Base-Backbone interact. energy: -0.625
local terms energy: -76.339944
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -213.262449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.262449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.262449 (E_RNA)
where:
Base-Base interactions energy: -138.154
where: short stacking energy: -64.116
Base-Backbone interact. energy: -0.610
local terms energy: -74.498374
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -203.567243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.567243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.567243 (E_RNA)
where:
Base-Base interactions energy: -130.652
where: short stacking energy: -58.704
Base-Backbone interact. energy: -0.095
local terms energy: -72.819630
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -207.594261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.594261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.594261 (E_RNA)
where:
Base-Base interactions energy: -137.491
where: short stacking energy: -66.035
Base-Backbone interact. energy: -0.015
local terms energy: -70.087826
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -164.383647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.383647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.383647 (E_RNA)
where:
Base-Base interactions energy: -108.638
where: short stacking energy: -47.325
Base-Backbone interact. energy: -0.893
local terms energy: -54.853244
where:
bonds (distance) C4'-P energy: -7.140
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -96.720886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.720886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.720886 (E_RNA)
where:
Base-Base interactions energy: -42.933
where: short stacking energy: -20.166
Base-Backbone interact. energy: 0.612
local terms energy: -54.400683
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -8.363
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: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -70.243242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.243242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.243242 (E_RNA)
where:
Base-Base interactions energy: -25.839
where: short stacking energy: -15.369
Base-Backbone interact. energy: -0.276
local terms energy: -44.128836
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -71.781532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.781532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.781532 (E_RNA)
where:
Base-Base interactions energy: -21.678
where: short stacking energy: -13.674
Base-Backbone interact. energy: -0.238
local terms energy: -49.864677
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: 0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -220.110192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.110192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.110192 (E_RNA)
where:
Base-Base interactions energy: -146.814
where: short stacking energy: -63.611
Base-Backbone interact. energy: -1.105
local terms energy: -72.190643
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -222.284945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.284945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.284945 (E_RNA)
where:
Base-Base interactions energy: -153.636
where: short stacking energy: -66.978
Base-Backbone interact. energy: -0.021
local terms energy: -68.628353
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -217.055592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.055592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.055592 (E_RNA)
where:
Base-Base interactions energy: -146.454
where: short stacking energy: -55.506
Base-Backbone interact. energy: -0.193
local terms energy: -70.409376
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -11.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -213.124098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.124098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.124098 (E_RNA)
where:
Base-Base interactions energy: -141.659
where: short stacking energy: -65.959
Base-Backbone interact. energy: -0.618
local terms energy: -70.846925
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -204.546963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.546963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.546963 (E_RNA)
where:
Base-Base interactions energy: -127.220
where: short stacking energy: -68.760
Base-Backbone interact. energy: -0.573
local terms energy: -76.754444
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -182.686268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.686268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.686268 (E_RNA)
where:
Base-Base interactions energy: -126.678
where: short stacking energy: -48.369
Base-Backbone interact. energy: -0.299
local terms energy: -55.709197
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -7.749
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: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -140.047910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.047910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.047910 (E_RNA)
where:
Base-Base interactions energy: -79.154
where: short stacking energy: -44.143
Base-Backbone interact. energy: -0.340
local terms energy: -60.553291
where:
bonds (distance) C4'-P energy: -8.827
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -9.064
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: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -79.555140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.555140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.555140 (E_RNA)
where:
Base-Base interactions energy: -35.322
where: short stacking energy: -31.732
Base-Backbone interact. energy: -1.434
local terms energy: -42.798464
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -3.274
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -85.391534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.391534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.391534 (E_RNA)
where:
Base-Base interactions energy: -31.294
where: short stacking energy: -24.088
Base-Backbone interact. energy: -0.078
local terms energy: -54.018916
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -4.904
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: 311
Temperature: 1.350000
Total energy: -72.566059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.566059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.566059 (E_RNA)
where:
Base-Base interactions energy: -38.453
where: short stacking energy: -11.997
Base-Backbone interact. energy: 0.871
local terms energy: -34.983648
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -0.199
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: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -229.224665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.224665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.224665 (E_RNA)
where:
Base-Base interactions energy: -151.834
where: short stacking energy: -62.221
Base-Backbone interact. energy: -1.618
local terms energy: -75.773278
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -218.502305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.502305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.502305 (E_RNA)
where:
Base-Base interactions energy: -149.030
where: short stacking energy: -64.763
Base-Backbone interact. energy: -0.028
local terms energy: -69.444916
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -215.994310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.994310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.994310 (E_RNA)
where:
Base-Base interactions energy: -142.178
where: short stacking energy: -58.078
Base-Backbone interact. energy: -0.104
local terms energy: -73.712778
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -212.724131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.724131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.724131 (E_RNA)
where:
Base-Base interactions energy: -142.463
where: short stacking energy: -60.878
Base-Backbone interact. energy: -0.786
local terms energy: -69.475578
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -191.402386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.402386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.402386 (E_RNA)
where:
Base-Base interactions energy: -132.985
where: short stacking energy: -47.227
Base-Backbone interact. energy: -0.156
local terms energy: -58.260965
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -8.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -176.518850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.518850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.518850 (E_RNA)
where:
Base-Base interactions energy: -114.244
where: short stacking energy: -48.259
Base-Backbone interact. energy: -1.072
local terms energy: -61.203210
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -89.408278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.408278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.408278 (E_RNA)
where:
Base-Base interactions energy: -35.612
where: short stacking energy: -34.540
Base-Backbone interact. energy: -1.386
local terms energy: -52.410045
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -86.280544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.280544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.280544 (E_RNA)
where:
Base-Base interactions energy: -28.033
where: short stacking energy: -22.554
Base-Backbone interact. energy: -0.037
local terms energy: -58.211227
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -93.033058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.033058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.033058 (E_RNA)
where:
Base-Base interactions energy: -40.474
where: short stacking energy: -27.299
Base-Backbone interact. energy: -0.074
local terms energy: -52.485194
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -5.371
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: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -79.804699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.804699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.804699 (E_RNA)
where:
Base-Base interactions energy: -29.863
where: short stacking energy: -26.713
Base-Backbone interact. energy: -0.200
local terms energy: -49.742567
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -227.580269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.580269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.580269 (E_RNA)
where:
Base-Base interactions energy: -157.758
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.657
local terms energy: -69.165365
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -219.546876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.546876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.546876 (E_RNA)
where:
Base-Base interactions energy: -152.340
where: short stacking energy: -64.141
Base-Backbone interact. energy: -0.704
local terms energy: -66.502896
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -195.208118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.208118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.208118 (E_RNA)
where:
Base-Base interactions energy: -131.931
where: short stacking energy: -54.091
Base-Backbone interact. energy: -0.306
local terms energy: -62.970859
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -13.408
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: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -216.995159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.995159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.995159 (E_RNA)
where:
Base-Base interactions energy: -146.705
where: short stacking energy: -51.634
Base-Backbone interact. energy: -0.114
local terms energy: -70.176061
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -212.077126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.077126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.077126 (E_RNA)
where:
Base-Base interactions energy: -149.281
where: short stacking energy: -58.004
Base-Backbone interact. energy: -0.158
local terms energy: -62.637906
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -81.572282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.572282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.572282 (E_RNA)
where:
Base-Base interactions energy: -32.173
where: short stacking energy: -26.813
Base-Backbone interact. energy: -0.054
local terms energy: -49.345735
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -8.473
flat angles P-C4'-P energy: -8.458
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: 7, replica: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -151.172534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.172534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.172534 (E_RNA)
where:
Base-Base interactions energy: -96.046
where: short stacking energy: -35.598
Base-Backbone interact. energy: -0.684
local terms energy: -54.442998
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -10.135
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -88.460643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.460643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.460643 (E_RNA)
where:
Base-Base interactions energy: -34.096
where: short stacking energy: -29.452
Base-Backbone interact. energy: -0.995
local terms energy: -53.369390
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -99.822374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.822374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.822374 (E_RNA)
where:
Base-Base interactions energy: -36.124
where: short stacking energy: -30.807
Base-Backbone interact. energy: -1.668
local terms energy: -62.030670
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -10.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -76.125795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.125795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.125795 (E_RNA)
where:
Base-Base interactions energy: -31.932
where: short stacking energy: -22.023
Base-Backbone interact. energy: 0.645
local terms energy: -44.838824
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -6.968
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -1.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -230.957618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.957618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.957618 (E_RNA)
where:
Base-Base interactions energy: -161.405
where: short stacking energy: -64.820
Base-Backbone interact. energy: -0.006
local terms energy: -69.546858
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -218.318385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.318385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.318385 (E_RNA)
where:
Base-Base interactions energy: -148.910
where: short stacking energy: -65.747
Base-Backbone interact. energy: 1.259
local terms energy: -70.667524
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -185.455467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.455467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.455467 (E_RNA)
where:
Base-Base interactions energy: -129.446
where: short stacking energy: -51.074
Base-Backbone interact. energy: -0.420
local terms energy: -55.589449
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -9.725
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: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -210.008820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.008820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.008820 (E_RNA)
where:
Base-Base interactions energy: -138.678
where: short stacking energy: -52.172
Base-Backbone interact. energy: -0.423
local terms energy: -70.907830
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -17.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -211.052509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.052509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.052509 (E_RNA)
where:
Base-Base interactions energy: -143.867
where: short stacking energy: -64.738
Base-Backbone interact. energy: -0.651
local terms energy: -66.534776
where:
bonds (distance) C4'-P energy: -8.104
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -126.827050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.827050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.827050 (E_RNA)
where:
Base-Base interactions energy: -70.053
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.824
local terms energy: -55.950729
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -183.287064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.287064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.287064 (E_RNA)
where:
Base-Base interactions energy: -118.783
where: short stacking energy: -42.829
Base-Backbone interact. energy: -0.007
local terms energy: -64.497406
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -11.733
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: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -114.596781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.596781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.596781 (E_RNA)
where:
Base-Base interactions energy: -52.503
where: short stacking energy: -38.515
Base-Backbone interact. energy: -0.063
local terms energy: -62.031421
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -10.019
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: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -78.908076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.908076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.908076 (E_RNA)
where:
Base-Base interactions energy: -32.084
where: short stacking energy: -32.084
Base-Backbone interact. energy: -0.143
local terms energy: -46.680941
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -95.389737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.389737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.389737 (E_RNA)
where:
Base-Base interactions energy: -37.253
where: short stacking energy: -35.228
Base-Backbone interact. energy: -0.064
local terms energy: -58.072877
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -216.281561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.281561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.281561 (E_RNA)
where:
Base-Base interactions energy: -149.919
where: short stacking energy: -53.891
Base-Backbone interact. energy: -0.013
local terms energy: -66.349819
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -214.950922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.950922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.950922 (E_RNA)
where:
Base-Base interactions energy: -140.595
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.666
local terms energy: -73.689376
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -199.908104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.908104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.908104 (E_RNA)
where:
Base-Base interactions energy: -131.483
where: short stacking energy: -51.994
Base-Backbone interact. energy: -0.167
local terms energy: -68.258510
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -8.405
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: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -201.659291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.659291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.659291 (E_RNA)
where:
Base-Base interactions energy: -127.814
where: short stacking energy: -62.347
Base-Backbone interact. energy: -0.032
local terms energy: -73.812967
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -202.733917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.733917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.733917 (E_RNA)
where:
Base-Base interactions energy: -134.466
where: short stacking energy: -57.555
Base-Backbone interact. energy: -0.749
local terms energy: -67.518740
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -186.139224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.139224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.139224 (E_RNA)
where:
Base-Base interactions energy: -125.494
where: short stacking energy: -48.576
Base-Backbone interact. energy: 0.044
local terms energy: -60.689378
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -14.064
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: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -140.373046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.373046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.373046 (E_RNA)
where:
Base-Base interactions energy: -82.904
where: short stacking energy: -35.587
Base-Backbone interact. energy: -0.123
local terms energy: -57.346409
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -11.196
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: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -84.109306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.109306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.109306 (E_RNA)
where:
Base-Base interactions energy: -29.159
where: short stacking energy: -21.475
Base-Backbone interact. energy: -0.157
local terms energy: -54.793105
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: -2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -79.193167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.193167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.193167 (E_RNA)
where:
Base-Base interactions energy: -36.427
where: short stacking energy: -27.240
Base-Backbone interact. energy: -0.264
local terms energy: -42.502471
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: 0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -74.062775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.062775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.062775 (E_RNA)
where:
Base-Base interactions energy: -27.510
where: short stacking energy: -22.388
Base-Backbone interact. energy: 3.110
local terms energy: -49.662484
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.739
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: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -225.565825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.565825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.565825 (E_RNA)
where:
Base-Base interactions energy: -155.622
where: short stacking energy: -57.753
Base-Backbone interact. energy: -0.059
local terms energy: -69.883907
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -216.181862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.181862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.181862 (E_RNA)
where:
Base-Base interactions energy: -144.091
where: short stacking energy: -60.650
Base-Backbone interact. energy: -0.203
local terms energy: -71.888009
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -211.115020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.115020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.115020 (E_RNA)
where:
Base-Base interactions energy: -142.886
where: short stacking energy: -54.418
Base-Backbone interact. energy: 0.017
local terms energy: -68.246037
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -204.154284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.154284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.154284 (E_RNA)
where:
Base-Base interactions energy: -136.159
where: short stacking energy: -58.809
Base-Backbone interact. energy: -0.961
local terms energy: -67.034763
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -208.924790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.924790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.924790 (E_RNA)
where:
Base-Base interactions energy: -138.288
where: short stacking energy: -64.103
Base-Backbone interact. energy: -0.015
local terms energy: -70.621807
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -17.889
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: 6, replica: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -184.338094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.338094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.338094 (E_RNA)
where:
Base-Base interactions energy: -125.873
where: short stacking energy: -51.061
Base-Backbone interact. energy: -0.188
local terms energy: -58.277086
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -13.418
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: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -153.048957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.048957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.048957 (E_RNA)
where:
Base-Base interactions energy: -96.142
where: short stacking energy: -44.712
Base-Backbone interact. energy: -1.345
local terms energy: -55.561995
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -8.535
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: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -86.928124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.928124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.928124 (E_RNA)
where:
Base-Base interactions energy: -27.638
where: short stacking energy: -27.638
Base-Backbone interact. energy: 0.255
local terms energy: -59.544703
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -77.005501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.005501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.005501 (E_RNA)
where:
Base-Base interactions energy: -22.756
where: short stacking energy: -22.756
Base-Backbone interact. energy: -0.566
local terms energy: -53.683747
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -9.649
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: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -78.275778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.275778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.275778 (E_RNA)
where:
Base-Base interactions energy: -29.591
where: short stacking energy: -21.145
Base-Backbone interact. energy: -0.137
local terms energy: -48.548035
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: 2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -220.892713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.892713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.892713 (E_RNA)
where:
Base-Base interactions energy: -150.046
where: short stacking energy: -62.348
Base-Backbone interact. energy: -0.118
local terms energy: -70.727788
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -209.222748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.222748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.222748 (E_RNA)
where:
Base-Base interactions energy: -137.177
where: short stacking energy: -64.246
Base-Backbone interact. energy: -0.000
local terms energy: -72.045008
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -199.798826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.798826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.798826 (E_RNA)
where:
Base-Base interactions energy: -132.007
where: short stacking energy: -58.508
Base-Backbone interact. energy: -0.356
local terms energy: -67.435341
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -14.563
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: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -200.783366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.783366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.783366 (E_RNA)
where:
Base-Base interactions energy: -133.947
where: short stacking energy: -57.969
Base-Backbone interact. energy: -0.918
local terms energy: -65.918635
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -203.718101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.718101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.718101 (E_RNA)
where:
Base-Base interactions energy: -124.749
where: short stacking energy: -51.251
Base-Backbone interact. energy: -0.546
local terms energy: -78.423440
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -179.567826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.567826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.567826 (E_RNA)
where:
Base-Base interactions energy: -124.408
where: short stacking energy: -55.159
Base-Backbone interact. energy: -0.099
local terms energy: -55.061124
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -11.303
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: 7, replica: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -137.545986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.545986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.545986 (E_RNA)
where:
Base-Base interactions energy: -83.186
where: short stacking energy: -23.751
Base-Backbone interact. energy: -1.234
local terms energy: -53.125833
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -10.955
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: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -88.155456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.155456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.155456 (E_RNA)
where:
Base-Base interactions energy: -34.585
where: short stacking energy: -33.628
Base-Backbone interact. energy: -0.108
local terms energy: -53.462457
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -9.827
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: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -76.919916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.919916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.919916 (E_RNA)
where:
Base-Base interactions energy: -28.068
where: short stacking energy: -26.121
Base-Backbone interact. energy: -0.827
local terms energy: -48.024359
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -73.291385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.291385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.291385 (E_RNA)
where:
Base-Base interactions energy: -22.107
where: short stacking energy: -19.693
Base-Backbone interact. energy: -0.186
local terms energy: -50.998300
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: 0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -222.884100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.884100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.884100 (E_RNA)
where:
Base-Base interactions energy: -148.672
where: short stacking energy: -67.523
Base-Backbone interact. energy: -0.083
local terms energy: -74.128880
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -224.824892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.824892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.824892 (E_RNA)
where:
Base-Base interactions energy: -151.728
where: short stacking energy: -66.057
Base-Backbone interact. energy: -1.226
local terms energy: -71.871092
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -203.709487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.709487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.709487 (E_RNA)
where:
Base-Base interactions energy: -137.236
where: short stacking energy: -55.881
Base-Backbone interact. energy: -0.153
local terms energy: -66.320597
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -16.154
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: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -191.187875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.187875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.187875 (E_RNA)
where:
Base-Base interactions energy: -127.853
where: short stacking energy: -56.287
Base-Backbone interact. energy: -0.217
local terms energy: -63.118235
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -199.244332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.244332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.244332 (E_RNA)
where:
Base-Base interactions energy: -133.073
where: short stacking energy: -49.788
Base-Backbone interact. energy: -0.063
local terms energy: -66.108633
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -185.516148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.516148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.516148 (E_RNA)
where:
Base-Base interactions energy: -116.455
where: short stacking energy: -52.339
Base-Backbone interact. energy: -0.409
local terms energy: -68.651966
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -87.146526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.146526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.146526 (E_RNA)
where:
Base-Base interactions energy: -34.217
where: short stacking energy: -34.217
Base-Backbone interact. energy: -0.152
local terms energy: -52.776905
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -88.866236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.866236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.866236 (E_RNA)
where:
Base-Base interactions energy: -46.263
where: short stacking energy: -32.834
Base-Backbone interact. energy: 0.540
local terms energy: -43.142981
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: 3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -87.284297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.284297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.284297 (E_RNA)
where:
Base-Base interactions energy: -33.848
where: short stacking energy: -24.774
Base-Backbone interact. energy: -1.280
local terms energy: -52.156252
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -78.463195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.463195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.463195 (E_RNA)
where:
Base-Base interactions energy: -50.215
where: short stacking energy: -36.929
Base-Backbone interact. energy: 0.582
local terms energy: -28.829341
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -9.677
flat angles C4'-P-C4' energy: -1.550
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: 0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -223.649733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.649733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.649733 (E_RNA)
where:
Base-Base interactions energy: -155.533
where: short stacking energy: -68.016
Base-Backbone interact. energy: -0.034
local terms energy: -68.082864
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -7.160
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -23.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -217.665162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.665162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.665162 (E_RNA)
where:
Base-Base interactions energy: -138.648
where: short stacking energy: -59.946
Base-Backbone interact. energy: -0.024
local terms energy: -78.993214
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -219.219735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.219735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.219735 (E_RNA)
where:
Base-Base interactions energy: -138.450
where: short stacking energy: -65.230
Base-Backbone interact. energy: -0.657
local terms energy: -80.112684
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -197.567803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.567803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.567803 (E_RNA)
where:
Base-Base interactions energy: -130.545
where: short stacking energy: -53.544
Base-Backbone interact. energy: -0.280
local terms energy: -66.742549
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -201.026891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.026891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.026891 (E_RNA)
where:
Base-Base interactions energy: -126.960
where: short stacking energy: -59.908
Base-Backbone interact. energy: -0.538
local terms energy: -73.529013
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -211.053722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.053722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.053722 (E_RNA)
where:
Base-Base interactions energy: -142.397
where: short stacking energy: -58.624
Base-Backbone interact. energy: -0.193
local terms energy: -68.463639
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -11.100
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -93.791954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.791954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.791954 (E_RNA)
where:
Base-Base interactions energy: -39.811
where: short stacking energy: -24.404
Base-Backbone interact. energy: -0.527
local terms energy: -53.453701
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -82.572126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.572126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.572126 (E_RNA)
where:
Base-Base interactions energy: -40.208
where: short stacking energy: -30.775
Base-Backbone interact. energy: -0.561
local terms energy: -41.803974
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -1.445
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -11.167
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: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -78.884585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.884585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.884585 (E_RNA)
where:
Base-Base interactions energy: -31.107
where: short stacking energy: -27.587
Base-Backbone interact. energy: -0.054
local terms energy: -47.723664
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -0.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -75.045452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.045452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.045452 (E_RNA)
where:
Base-Base interactions energy: -32.390
where: short stacking energy: -29.320
Base-Backbone interact. energy: -0.268
local terms energy: -42.387202
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -8.458
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -231.438602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.438602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.438602 (E_RNA)
where:
Base-Base interactions energy: -153.986
where: short stacking energy: -54.597
Base-Backbone interact. energy: -0.053
local terms energy: -77.399676
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -222.635197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.635197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.635197 (E_RNA)
where:
Base-Base interactions energy: -135.586
where: short stacking energy: -63.593
Base-Backbone interact. energy: -0.031
local terms energy: -87.018583
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -211.016523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.016523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.016523 (E_RNA)
where:
Base-Base interactions energy: -133.517
where: short stacking energy: -54.486
Base-Backbone interact. energy: -0.057
local terms energy: -77.442384
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -195.878810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.878810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.878810 (E_RNA)
where:
Base-Base interactions energy: -125.071
where: short stacking energy: -52.197
Base-Backbone interact. energy: -0.755
local terms energy: -70.052707
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -16.468
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: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -206.184647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.184647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.184647 (E_RNA)
where:
Base-Base interactions energy: -134.505
where: short stacking energy: -64.962
Base-Backbone interact. energy: -0.006
local terms energy: -71.673341
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -178.164024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.164024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.164024 (E_RNA)
where:
Base-Base interactions energy: -109.154
where: short stacking energy: -43.504
Base-Backbone interact. energy: -0.024
local terms energy: -68.985632
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -12.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -131.619614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.619614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.619614 (E_RNA)
where:
Base-Base interactions energy: -74.254
where: short stacking energy: -29.624
Base-Backbone interact. energy: -0.024
local terms energy: -57.341656
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -77.589340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.589340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.589340 (E_RNA)
where:
Base-Base interactions energy: -31.697
where: short stacking energy: -23.661
Base-Backbone interact. energy: -0.040
local terms energy: -45.852946
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: 0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -80.497156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.497156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.497156 (E_RNA)
where:
Base-Base interactions energy: -22.936
where: short stacking energy: -22.936
Base-Backbone interact. energy: -0.117
local terms energy: -57.444621
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -10.178
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: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -79.249882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.249882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.249882 (E_RNA)
where:
Base-Base interactions energy: -31.171
where: short stacking energy: -24.704
Base-Backbone interact. energy: -0.206
local terms energy: -47.872197
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -223.770504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.770504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.770504 (E_RNA)
where:
Base-Base interactions energy: -155.360
where: short stacking energy: -51.714
Base-Backbone interact. energy: -0.093
local terms energy: -68.317718
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -13.749
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: 321
Temperature: 0.950000
Total energy: -214.392834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.392834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.392834 (E_RNA)
where:
Base-Base interactions energy: -136.452
where: short stacking energy: -60.068
Base-Backbone interact. energy: -0.052
local terms energy: -77.889199
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -213.155101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.155101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.155101 (E_RNA)
where:
Base-Base interactions energy: -140.415
where: short stacking energy: -49.209
Base-Backbone interact. energy: 0.797
local terms energy: -73.536971
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -190.445931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.445931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.445931 (E_RNA)
where:
Base-Base interactions energy: -125.254
where: short stacking energy: -52.567
Base-Backbone interact. energy: 0.102
local terms energy: -65.294649
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -9.676
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: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -201.651414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.651414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.651414 (E_RNA)
where:
Base-Base interactions energy: -131.904
where: short stacking energy: -54.589
Base-Backbone interact. energy: -0.091
local terms energy: -69.656453
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -178.226399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.226399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.226399 (E_RNA)
where:
Base-Base interactions energy: -122.483
where: short stacking energy: -46.238
Base-Backbone interact. energy: -0.964
local terms energy: -54.779796
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -107.874119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.874119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.874119 (E_RNA)
where:
Base-Base interactions energy: -52.882
where: short stacking energy: -22.754
Base-Backbone interact. energy: 0.366
local terms energy: -55.358914
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -86.028762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.028762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.028762 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -30.791
Base-Backbone interact. energy: -0.003
local terms energy: -53.464743
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -7.758
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -101.618309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.618309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.618309 (E_RNA)
where:
Base-Base interactions energy: -47.588
where: short stacking energy: -25.439
Base-Backbone interact. energy: 1.424
local terms energy: -55.454498
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -76.368466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.368466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.368466 (E_RNA)
where:
Base-Base interactions energy: -28.669
where: short stacking energy: -28.669
Base-Backbone interact. energy: -0.111
local terms energy: -47.588277
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -8.211
flat angles P-C4'-P energy: -9.125
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: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -222.327434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.327434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.327434 (E_RNA)
where:
Base-Base interactions energy: -152.365
where: short stacking energy: -57.557
Base-Backbone interact. energy: -0.049
local terms energy: -69.913801
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -14.989
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: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -218.512584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.512584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.512584 (E_RNA)
where:
Base-Base interactions energy: -146.113
where: short stacking energy: -61.615
Base-Backbone interact. energy: 0.177
local terms energy: -72.577237
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -19.856
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: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -220.018810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.018810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.018810 (E_RNA)
where:
Base-Base interactions energy: -145.019
where: short stacking energy: -54.451
Base-Backbone interact. energy: -0.002
local terms energy: -74.997792
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -210.904383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.904383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.904383 (E_RNA)
where:
Base-Base interactions energy: -142.825
where: short stacking energy: -50.110
Base-Backbone interact. energy: 0.214
local terms energy: -68.294102
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -13.300
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: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -192.862140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.862140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.862140 (E_RNA)
where:
Base-Base interactions energy: -130.530
where: short stacking energy: -43.882
Base-Backbone interact. energy: -0.219
local terms energy: -62.113114
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -187.841129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.841129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.841129 (E_RNA)
where:
Base-Base interactions energy: -114.142
where: short stacking energy: -56.763
Base-Backbone interact. energy: 0.075
local terms energy: -73.773996
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -103.806435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.806435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.806435 (E_RNA)
where:
Base-Base interactions energy: -45.021
where: short stacking energy: -45.021
Base-Backbone interact. energy: -0.080
local terms energy: -58.705627
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -101.934467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.934467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.934467 (E_RNA)
where:
Base-Base interactions energy: -57.276
where: short stacking energy: -26.125
Base-Backbone interact. energy: 0.279
local terms energy: -44.936684
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -86.669776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.669776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.669776 (E_RNA)
where:
Base-Base interactions energy: -33.253
where: short stacking energy: -32.230
Base-Backbone interact. energy: -0.062
local terms energy: -53.354779
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -10.706
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: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -86.278306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.278306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.278306 (E_RNA)
where:
Base-Base interactions energy: -39.424
where: short stacking energy: -39.424
Base-Backbone interact. energy: -0.039
local terms energy: -46.815246
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -5.668
flat angles P-C4'-P energy: -9.263
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: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -215.267170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.267170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.267170 (E_RNA)
where:
Base-Base interactions energy: -147.036
where: short stacking energy: -57.932
Base-Backbone interact. energy: -0.724
local terms energy: -67.507350
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -16.874
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: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -214.169671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.169671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.169671 (E_RNA)
where:
Base-Base interactions energy: -142.260
where: short stacking energy: -54.626
Base-Backbone interact. energy: -0.194
local terms energy: -71.716395
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -15.974
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: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -214.823247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.823247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.823247 (E_RNA)
where:
Base-Base interactions energy: -137.201
where: short stacking energy: -64.617
Base-Backbone interact. energy: -0.002
local terms energy: -77.620370
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -215.201031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.201031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.201031 (E_RNA)
where:
Base-Base interactions energy: -138.143
where: short stacking energy: -57.953
Base-Backbone interact. energy: -0.001
local terms energy: -77.056965
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -191.234165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.234165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.234165 (E_RNA)
where:
Base-Base interactions energy: -132.809
where: short stacking energy: -44.202
Base-Backbone interact. energy: -0.868
local terms energy: -57.557239
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -200.671107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.671107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.671107 (E_RNA)
where:
Base-Base interactions energy: -132.210
where: short stacking energy: -62.679
Base-Backbone interact. energy: -0.022
local terms energy: -68.438712
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -20.862
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: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -91.360942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.360942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.360942 (E_RNA)
where:
Base-Base interactions energy: -37.940
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.106
local terms energy: -53.315191
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -6.447
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: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -85.138325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.138325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.138325 (E_RNA)
where:
Base-Base interactions energy: -32.710
where: short stacking energy: -26.972
Base-Backbone interact. energy: -0.206
local terms energy: -52.222289
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -71.709083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.709083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.709083 (E_RNA)
where:
Base-Base interactions energy: -31.284
where: short stacking energy: -20.350
Base-Backbone interact. energy: 0.471
local terms energy: -40.896195
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -8.902
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -83.235980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.235980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.235980 (E_RNA)
where:
Base-Base interactions energy: -35.907
where: short stacking energy: -21.069
Base-Backbone interact. energy: -0.279
local terms energy: -47.050141
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: 0.079
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: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -217.770296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.770296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.770296 (E_RNA)
where:
Base-Base interactions energy: -149.056
where: short stacking energy: -58.696
Base-Backbone interact. energy: -0.091
local terms energy: -68.622533
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -16.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -205.326666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.326666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.326666 (E_RNA)
where:
Base-Base interactions energy: -145.085
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.442
local terms energy: -59.799718
where:
bonds (distance) C4'-P energy: -5.413
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -17.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -213.629261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.629261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.629261 (E_RNA)
where:
Base-Base interactions energy: -141.215
where: short stacking energy: -67.352
Base-Backbone interact. energy: -0.041
local terms energy: -72.373477
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -214.949562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.949562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.949562 (E_RNA)
where:
Base-Base interactions energy: -146.742
where: short stacking energy: -66.247
Base-Backbone interact. energy: -1.449
local terms energy: -66.758456
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -201.982426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.982426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.982426 (E_RNA)
where:
Base-Base interactions energy: -136.952
where: short stacking energy: -46.896
Base-Backbone interact. energy: -0.105
local terms energy: -64.925360
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -190.349173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.349173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.349173 (E_RNA)
where:
Base-Base interactions energy: -129.312
where: short stacking energy: -54.113
Base-Backbone interact. energy: 0.625
local terms energy: -61.662639
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -15.949
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: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -106.709649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.709649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.709649 (E_RNA)
where:
Base-Base interactions energy: -47.736
where: short stacking energy: -29.440
Base-Backbone interact. energy: -0.552
local terms energy: -58.420941
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -9.193
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: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -92.408391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.408391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.408391 (E_RNA)
where:
Base-Base interactions energy: -40.814
where: short stacking energy: -26.782
Base-Backbone interact. energy: -0.029
local terms energy: -51.565076
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -7.560
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: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -90.308557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.308557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.308557 (E_RNA)
where:
Base-Base interactions energy: -36.436
where: short stacking energy: -24.897
Base-Backbone interact. energy: -0.098
local terms energy: -53.774069
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -3.421
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: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -75.998517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.998517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.998517 (E_RNA)
where:
Base-Base interactions energy: -29.893
where: short stacking energy: -28.817
Base-Backbone interact. energy: 1.478
local terms energy: -47.584032
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -221.179234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.179234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.179234 (E_RNA)
where:
Base-Base interactions energy: -155.323
where: short stacking energy: -56.100
Base-Backbone interact. energy: -0.055
local terms energy: -65.801524
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -5.890
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -15.431
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: 325
Temperature: 0.950000
Total energy: -220.125982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.125982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.125982 (E_RNA)
where:
Base-Base interactions energy: -142.936
where: short stacking energy: -70.402
Base-Backbone interact. energy: -0.584
local terms energy: -76.605863
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -18.398
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: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -206.281406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.281406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.281406 (E_RNA)
where:
Base-Base interactions energy: -135.095
where: short stacking energy: -55.965
Base-Backbone interact. energy: -0.143
local terms energy: -71.043383
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -18.112
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: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -198.791602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.791602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.791602 (E_RNA)
where:
Base-Base interactions energy: -128.429
where: short stacking energy: -51.301
Base-Backbone interact. energy: -0.261
local terms energy: -70.101680
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -201.797375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.797375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.797375 (E_RNA)
where:
Base-Base interactions energy: -136.227
where: short stacking energy: -59.181
Base-Backbone interact. energy: -0.211
local terms energy: -65.359136
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -195.735307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.735307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.735307 (E_RNA)
where:
Base-Base interactions energy: -134.979
where: short stacking energy: -65.393
Base-Backbone interact. energy: -1.360
local terms energy: -59.396383
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -2.315
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -103.635165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.635165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.635165 (E_RNA)
where:
Base-Base interactions energy: -47.350
where: short stacking energy: -25.850
Base-Backbone interact. energy: -0.333
local terms energy: -55.951854
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -91.859196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.859196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.859196 (E_RNA)
where:
Base-Base interactions energy: -45.131
where: short stacking energy: -28.469
Base-Backbone interact. energy: -0.480
local terms energy: -46.248984
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -2.500
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -72.607069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.607069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.607069 (E_RNA)
where:
Base-Base interactions energy: -29.614
where: short stacking energy: -18.553
Base-Backbone interact. energy: -0.080
local terms energy: -42.913947
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -4.908
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: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -74.188524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.188524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.188524 (E_RNA)
where:
Base-Base interactions energy: -24.465
where: short stacking energy: -20.384
Base-Backbone interact. energy: -0.004
local terms energy: -49.719153
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: 0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -222.115281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.115281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.115281 (E_RNA)
where:
Base-Base interactions energy: -149.481
where: short stacking energy: -69.991
Base-Backbone interact. energy: -0.054
local terms energy: -72.580500
where:
bonds (distance) C4'-P energy: -8.226
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -21.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -213.738749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.738749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.738749 (E_RNA)
where:
Base-Base interactions energy: -146.671
where: short stacking energy: -64.675
Base-Backbone interact. energy: -0.308
local terms energy: -66.759947
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -209.202591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.202591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.202591 (E_RNA)
where:
Base-Base interactions energy: -149.521
where: short stacking energy: -47.336
Base-Backbone interact. energy: -0.160
local terms energy: -59.521456
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -9.118
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: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -209.127075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.127075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.127075 (E_RNA)
where:
Base-Base interactions energy: -146.106
where: short stacking energy: -43.400
Base-Backbone interact. energy: -1.325
local terms energy: -61.696748
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -12.304
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: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -194.767211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.767211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.767211 (E_RNA)
where:
Base-Base interactions energy: -132.499
where: short stacking energy: -62.585
Base-Backbone interact. energy: -0.041
local terms energy: -62.226745
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -20.248
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: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -184.004713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.004713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.004713 (E_RNA)
where:
Base-Base interactions energy: -120.283
where: short stacking energy: -43.869
Base-Backbone interact. energy: -0.061
local terms energy: -63.661358
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -12.365
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: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -128.237835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.237835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.237835 (E_RNA)
where:
Base-Base interactions energy: -73.425
where: short stacking energy: -44.130
Base-Backbone interact. energy: -0.463
local terms energy: -54.349699
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -7.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -84.945445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.945445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.945445 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -29.664
Base-Backbone interact. energy: -0.469
local terms energy: -47.633369
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -3.857
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -77.553339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.553339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.553339 (E_RNA)
where:
Base-Base interactions energy: -21.906
where: short stacking energy: -21.906
Base-Backbone interact. energy: 0.758
local terms energy: -56.404934
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -80.030683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.030683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.030683 (E_RNA)
where:
Base-Base interactions energy: -36.016
where: short stacking energy: -26.758
Base-Backbone interact. energy: -0.026
local terms energy: -43.988918
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -232.924621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.924621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.924621 (E_RNA)
where:
Base-Base interactions energy: -156.828
where: short stacking energy: -75.769
Base-Backbone interact. energy: -0.011
local terms energy: -76.085510
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -21.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -221.240767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.240767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.240767 (E_RNA)
where:
Base-Base interactions energy: -145.332
where: short stacking energy: -57.419
Base-Backbone interact. energy: -0.045
local terms energy: -75.864090
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -221.486025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.486025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.486025 (E_RNA)
where:
Base-Base interactions energy: -147.408
where: short stacking energy: -64.894
Base-Backbone interact. energy: -0.581
local terms energy: -73.497301
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -204.864391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.864391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.864391 (E_RNA)
where:
Base-Base interactions energy: -131.280
where: short stacking energy: -66.315
Base-Backbone interact. energy: -0.401
local terms energy: -73.183455
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -207.041576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.041576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.041576 (E_RNA)
where:
Base-Base interactions energy: -134.698
where: short stacking energy: -58.004
Base-Backbone interact. energy: -0.104
local terms energy: -72.239473
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -174.909301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.909301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.909301 (E_RNA)
where:
Base-Base interactions energy: -108.144
where: short stacking energy: -55.235
Base-Backbone interact. energy: -0.045
local terms energy: -66.719968
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -91.568412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.568412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.568412 (E_RNA)
where:
Base-Base interactions energy: -42.758
where: short stacking energy: -27.907
Base-Backbone interact. energy: -0.269
local terms energy: -48.540940
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -5.035
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -97.813982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.813982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.813982 (E_RNA)
where:
Base-Base interactions energy: -50.663
where: short stacking energy: -26.989
Base-Backbone interact. energy: -0.417
local terms energy: -46.733336
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -86.256276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.256276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.256276 (E_RNA)
where:
Base-Base interactions energy: -34.091
where: short stacking energy: -23.452
Base-Backbone interact. energy: -0.170
local terms energy: -51.994929
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -9.397
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: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -68.573372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.573372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.573372 (E_RNA)
where:
Base-Base interactions energy: -20.737
where: short stacking energy: -21.037
Base-Backbone interact. energy: -0.045
local terms energy: -47.791938
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: 0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -223.293870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.293870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.293870 (E_RNA)
where:
Base-Base interactions energy: -153.598
where: short stacking energy: -58.795
Base-Backbone interact. energy: -0.095
local terms energy: -69.600450
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -222.462244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.462244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.462244 (E_RNA)
where:
Base-Base interactions energy: -148.885
where: short stacking energy: -70.046
Base-Backbone interact. energy: -0.017
local terms energy: -73.560656
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -208.807455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.807455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.807455 (E_RNA)
where:
Base-Base interactions energy: -141.905
where: short stacking energy: -60.183
Base-Backbone interact. energy: -0.391
local terms energy: -66.511275
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -216.596612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.596612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.596612 (E_RNA)
where:
Base-Base interactions energy: -151.496
where: short stacking energy: -61.379
Base-Backbone interact. energy: 1.381
local terms energy: -66.481784
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -214.312020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.312020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.312020 (E_RNA)
where:
Base-Base interactions energy: -134.503
where: short stacking energy: -60.807
Base-Backbone interact. energy: -0.047
local terms energy: -79.762019
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -19.567
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: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -191.838463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.838463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.838463 (E_RNA)
where:
Base-Base interactions energy: -123.521
where: short stacking energy: -67.080
Base-Backbone interact. energy: -0.106
local terms energy: -68.211064
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -88.743137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.743137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.743137 (E_RNA)
where:
Base-Base interactions energy: -30.285
where: short stacking energy: -29.424
Base-Backbone interact. energy: -0.009
local terms energy: -58.449096
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -9.230
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: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -73.934026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.934026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.934026 (E_RNA)
where:
Base-Base interactions energy: -28.019
where: short stacking energy: -24.598
Base-Backbone interact. energy: -0.059
local terms energy: -45.855760
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -83.664212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.664212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.664212 (E_RNA)
where:
Base-Base interactions energy: -34.626
where: short stacking energy: -14.460
Base-Backbone interact. energy: 2.235
local terms energy: -51.273406
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -11.496
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: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -87.129227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.129227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.129227 (E_RNA)
where:
Base-Base interactions energy: -41.468
where: short stacking energy: -27.718
Base-Backbone interact. energy: -0.139
local terms energy: -45.522527
where:
bonds (distance) C4'-P energy: -7.714
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -0.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -227.242353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.242353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.242353 (E_RNA)
where:
Base-Base interactions energy: -153.993
where: short stacking energy: -57.395
Base-Backbone interact. energy: -0.168
local terms energy: -73.081563
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -217.656899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.656899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.656899 (E_RNA)
where:
Base-Base interactions energy: -157.366
where: short stacking energy: -58.911
Base-Backbone interact. energy: -0.117
local terms energy: -60.173298
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -204.811702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.811702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.811702 (E_RNA)
where:
Base-Base interactions energy: -131.138
where: short stacking energy: -51.001
Base-Backbone interact. energy: -0.057
local terms energy: -73.617084
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -17.451
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: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -193.933271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.933271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.933271 (E_RNA)
where:
Base-Base interactions energy: -122.894
where: short stacking energy: -54.216
Base-Backbone interact. energy: -0.001
local terms energy: -71.038352
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -15.104
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: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -198.990544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.990544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.990544 (E_RNA)
where:
Base-Base interactions energy: -135.380
where: short stacking energy: -50.550
Base-Backbone interact. energy: -1.011
local terms energy: -62.598781
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -6.328
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: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -197.596604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.596604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.596604 (E_RNA)
where:
Base-Base interactions energy: -125.509
where: short stacking energy: -55.263
Base-Backbone interact. energy: -0.001
local terms energy: -72.086607
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -20.039
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: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -86.961457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.961457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.961457 (E_RNA)
where:
Base-Base interactions energy: -35.961
where: short stacking energy: -34.912
Base-Backbone interact. energy: -0.151
local terms energy: -50.848710
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -6.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -87.576057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.576057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.576057 (E_RNA)
where:
Base-Base interactions energy: -35.024
where: short stacking energy: -33.713
Base-Backbone interact. energy: -0.186
local terms energy: -52.366308
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -79.246352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.246352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.246352 (E_RNA)
where:
Base-Base interactions energy: -35.556
where: short stacking energy: -25.678
Base-Backbone interact. energy: -0.134
local terms energy: -43.556801
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: 0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -88.041187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.041187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.041187 (E_RNA)
where:
Base-Base interactions energy: -26.865
where: short stacking energy: -23.249
Base-Backbone interact. energy: -0.010
local terms energy: -61.166473
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -223.466967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.466967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.466967 (E_RNA)
where:
Base-Base interactions energy: -150.094
where: short stacking energy: -62.059
Base-Backbone interact. energy: -0.007
local terms energy: -73.365188
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -220.355413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.355413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.355413 (E_RNA)
where:
Base-Base interactions energy: -147.298
where: short stacking energy: -61.510
Base-Backbone interact. energy: -0.023
local terms energy: -73.034615
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -201.030789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.030789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.030789 (E_RNA)
where:
Base-Base interactions energy: -130.232
where: short stacking energy: -51.648
Base-Backbone interact. energy: -0.523
local terms energy: -70.276144
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -16.751
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: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -196.160197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.160197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.160197 (E_RNA)
where:
Base-Base interactions energy: -132.316
where: short stacking energy: -58.278
Base-Backbone interact. energy: 2.555
local terms energy: -66.400071
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -12.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -216.975340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.975340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.975340 (E_RNA)
where:
Base-Base interactions energy: -150.108
where: short stacking energy: -55.274
Base-Backbone interact. energy: -0.012
local terms energy: -66.855111
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -13.856
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: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -192.508485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.508485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.508485 (E_RNA)
where:
Base-Base interactions energy: -123.122
where: short stacking energy: -55.630
Base-Backbone interact. energy: -0.136
local terms energy: -69.250148
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -15.889
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: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -92.158238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.158238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.158238 (E_RNA)
where:
Base-Base interactions energy: -43.436
where: short stacking energy: -41.080
Base-Backbone interact. energy: -0.026
local terms energy: -48.695580
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -5.519
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: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -76.628683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.628683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.628683 (E_RNA)
where:
Base-Base interactions energy: -31.026
where: short stacking energy: -28.032
Base-Backbone interact. energy: -0.066
local terms energy: -45.536522
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -3.180
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: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -85.768442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.768442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.768442 (E_RNA)
where:
Base-Base interactions energy: -38.865
where: short stacking energy: -32.420
Base-Backbone interact. energy: -0.216
local terms energy: -46.687394
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -78.941775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.941775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.941775 (E_RNA)
where:
Base-Base interactions energy: -33.203
where: short stacking energy: -26.477
Base-Backbone interact. energy: -0.440
local terms energy: -45.298391
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -10.734
flat angles C4'-P-C4' energy: -4.085
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -220.635382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.635382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.635382 (E_RNA)
where:
Base-Base interactions energy: -145.079
where: short stacking energy: -63.454
Base-Backbone interact. energy: -0.001
local terms energy: -75.555485
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -22.135
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: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -218.683017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.683017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.683017 (E_RNA)
where:
Base-Base interactions energy: -143.071
where: short stacking energy: -61.010
Base-Backbone interact. energy: -0.003
local terms energy: -75.609215
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -207.705796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.705796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.705796 (E_RNA)
where:
Base-Base interactions energy: -136.189
where: short stacking energy: -60.432
Base-Backbone interact. energy: 1.489
local terms energy: -73.006355
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -203.675063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.675063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.675063 (E_RNA)
where:
Base-Base interactions energy: -149.459
where: short stacking energy: -51.024
Base-Backbone interact. energy: -0.117
local terms energy: -54.099447
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -7.710
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: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -199.055831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.055831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.055831 (E_RNA)
where:
Base-Base interactions energy: -129.408
where: short stacking energy: -48.930
Base-Backbone interact. energy: -2.044
local terms energy: -67.603215
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -182.303903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.303903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.303903 (E_RNA)
where:
Base-Base interactions energy: -117.703
where: short stacking energy: -55.704
Base-Backbone interact. energy: -0.548
local terms energy: -64.052356
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -95.498411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.498411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.498411 (E_RNA)
where:
Base-Base interactions energy: -44.256
where: short stacking energy: -22.586
Base-Backbone interact. energy: -0.069
local terms energy: -51.173729
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: 0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -91.413423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.413423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.413423 (E_RNA)
where:
Base-Base interactions energy: -34.587
where: short stacking energy: -34.587
Base-Backbone interact. energy: -0.127
local terms energy: -56.699763
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -95.429355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.429355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.429355 (E_RNA)
where:
Base-Base interactions energy: -45.482
where: short stacking energy: -40.187
Base-Backbone interact. energy: -0.236
local terms energy: -49.711433
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -7.854
flat angles P-C4'-P energy: -5.378
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: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -76.749801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.749801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.749801 (E_RNA)
where:
Base-Base interactions energy: -25.438
where: short stacking energy: -25.438
Base-Backbone interact. energy: -0.190
local terms energy: -51.121082
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -222.183618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.183618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.183618 (E_RNA)
where:
Base-Base interactions energy: -144.851
where: short stacking energy: -71.963
Base-Backbone interact. energy: -0.007
local terms energy: -77.325293
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -18.846
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: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -220.593237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.593237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.593237 (E_RNA)
where:
Base-Base interactions energy: -151.208
where: short stacking energy: -59.920
Base-Backbone interact. energy: -0.003
local terms energy: -69.381863
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -206.823011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.823011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.823011 (E_RNA)
where:
Base-Base interactions energy: -136.185
where: short stacking energy: -58.193
Base-Backbone interact. energy: -0.031
local terms energy: -70.606328
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -209.616281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.616281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.616281 (E_RNA)
where:
Base-Base interactions energy: -136.057
where: short stacking energy: -56.121
Base-Backbone interact. energy: -0.808
local terms energy: -72.750844
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -181.007386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.007386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.007386 (E_RNA)
where:
Base-Base interactions energy: -116.947
where: short stacking energy: -48.130
Base-Backbone interact. energy: -0.323
local terms energy: -63.737889
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -8.167
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: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -198.310227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.310227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.310227 (E_RNA)
where:
Base-Base interactions energy: -139.057
where: short stacking energy: -59.605
Base-Backbone interact. energy: -0.144
local terms energy: -59.108985
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -8.773
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -99.273747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.273747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.273747 (E_RNA)
where:
Base-Base interactions energy: -42.021
where: short stacking energy: -34.386
Base-Backbone interact. energy: -0.007
local terms energy: -57.245367
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -9.675
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: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -86.208572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.208572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.208572 (E_RNA)
where:
Base-Base interactions energy: -36.537
where: short stacking energy: -30.656
Base-Backbone interact. energy: -0.594
local terms energy: -49.078035
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -75.992788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.992788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.992788 (E_RNA)
where:
Base-Base interactions energy: -32.223
where: short stacking energy: -27.244
Base-Backbone interact. energy: 3.532
local terms energy: -47.301872
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -8.266
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: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -84.506518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.506518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.506518 (E_RNA)
where:
Base-Base interactions energy: -35.902
where: short stacking energy: -25.332
Base-Backbone interact. energy: -0.343
local terms energy: -48.260736
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -0.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -227.121313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.121313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.121313 (E_RNA)
where:
Base-Base interactions energy: -146.653
where: short stacking energy: -75.381
Base-Backbone interact. energy: -0.746
local terms energy: -79.721627
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -20.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -213.346425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.346425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.346425 (E_RNA)
where:
Base-Base interactions energy: -140.465
where: short stacking energy: -57.060
Base-Backbone interact. energy: -0.764
local terms energy: -72.116936
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -13.424
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: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -203.886552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.886552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.886552 (E_RNA)
where:
Base-Base interactions energy: -134.500
where: short stacking energy: -57.392
Base-Backbone interact. energy: -0.042
local terms energy: -69.343905
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -11.502
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: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -218.191024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.191024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.191024 (E_RNA)
where:
Base-Base interactions energy: -144.234
where: short stacking energy: -68.510
Base-Backbone interact. energy: -0.634
local terms energy: -73.322809
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -177.341876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.341876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.341876 (E_RNA)
where:
Base-Base interactions energy: -115.537
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.039
local terms energy: -61.765981
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -180.901013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.901013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.901013 (E_RNA)
where:
Base-Base interactions energy: -122.158
where: short stacking energy: -48.493
Base-Backbone interact. energy: -0.069
local terms energy: -58.674325
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -7.530
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: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -107.964960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.964960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.964960 (E_RNA)
where:
Base-Base interactions energy: -51.587
where: short stacking energy: -19.960
Base-Backbone interact. energy: -0.361
local terms energy: -56.016448
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -88.623554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.623554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.623554 (E_RNA)
where:
Base-Base interactions energy: -41.943
where: short stacking energy: -26.675
Base-Backbone interact. energy: -0.467
local terms energy: -46.213735
where:
bonds (distance) C4'-P energy: -6.448
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -9.695
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: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -87.587984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.587984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.587984 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -34.158
Base-Backbone interact. energy: 0.379
local terms energy: -50.997831
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -7.175
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: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -77.600495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.600495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.600495 (E_RNA)
where:
Base-Base interactions energy: -31.643
where: short stacking energy: -25.400
Base-Backbone interact. energy: -0.151
local terms energy: -45.805695
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -7.131
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: 1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -228.205492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.205492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.205492 (E_RNA)
where:
Base-Base interactions energy: -154.809
where: short stacking energy: -57.471
Base-Backbone interact. energy: -0.252
local terms energy: -73.144549
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -18.533
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: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -212.370905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.370905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.370905 (E_RNA)
where:
Base-Base interactions energy: -138.602
where: short stacking energy: -60.700
Base-Backbone interact. energy: -0.696
local terms energy: -73.072757
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -212.715519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.715519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.715519 (E_RNA)
where:
Base-Base interactions energy: -149.361
where: short stacking energy: -60.524
Base-Backbone interact. energy: -0.001
local terms energy: -63.354010
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -214.070178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.070178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.070178 (E_RNA)
where:
Base-Base interactions energy: -144.731
where: short stacking energy: -57.286
Base-Backbone interact. energy: -0.017
local terms energy: -69.322054
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -12.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -191.161893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.161893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.161893 (E_RNA)
where:
Base-Base interactions energy: -123.633
where: short stacking energy: -51.854
Base-Backbone interact. energy: -0.027
local terms energy: -67.502772
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -175.223304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.223304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.223304 (E_RNA)
where:
Base-Base interactions energy: -119.060
where: short stacking energy: -38.433
Base-Backbone interact. energy: -0.167
local terms energy: -55.995935
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -8.925
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: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -82.576966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.576966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.576966 (E_RNA)
where:
Base-Base interactions energy: -27.397
where: short stacking energy: -27.397
Base-Backbone interact. energy: -0.112
local terms energy: -55.067296
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -90.524586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.524586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.524586 (E_RNA)
where:
Base-Base interactions energy: -33.235
where: short stacking energy: -33.235
Base-Backbone interact. energy: -0.026
local terms energy: -57.263122
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -6.442
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: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -84.371253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.371253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.371253 (E_RNA)
where:
Base-Base interactions energy: -33.208
where: short stacking energy: -19.593
Base-Backbone interact. energy: -0.201
local terms energy: -50.961877
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: 0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -74.310219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.310219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.310219 (E_RNA)
where:
Base-Base interactions energy: -32.629
where: short stacking energy: -25.297
Base-Backbone interact. energy: -0.159
local terms energy: -41.522620
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -3.282
tors. eta vs tors. theta energy: 0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -227.526823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.526823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.526823 (E_RNA)
where:
Base-Base interactions energy: -152.429
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.098
local terms energy: -74.999785
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -16.478
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: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -218.402538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.402538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.402538 (E_RNA)
where:
Base-Base interactions energy: -144.275
where: short stacking energy: -62.054
Base-Backbone interact. energy: -0.543
local terms energy: -73.584925
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -198.287010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.287010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.287010 (E_RNA)
where:
Base-Base interactions energy: -140.470
where: short stacking energy: -52.080
Base-Backbone interact. energy: -0.073
local terms energy: -57.744090
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -1.464
tors. eta vs tors. theta energy: -13.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -210.465328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.465328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.465328 (E_RNA)
where:
Base-Base interactions energy: -139.201
where: short stacking energy: -55.135
Base-Backbone interact. energy: -0.423
local terms energy: -70.841726
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -16.911
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: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -189.439130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.439130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.439130 (E_RNA)
where:
Base-Base interactions energy: -132.676
where: short stacking energy: -42.679
Base-Backbone interact. energy: -0.945
local terms energy: -55.817287
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -7.424
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: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -198.116796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.116796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.116796 (E_RNA)
where:
Base-Base interactions energy: -136.452
where: short stacking energy: -52.840
Base-Backbone interact. energy: -0.004
local terms energy: -61.659829
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -12.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -86.572747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.572747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.572747 (E_RNA)
where:
Base-Base interactions energy: -28.063
where: short stacking energy: -28.063
Base-Backbone interact. energy: -0.110
local terms energy: -58.400029
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -80.393269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.393269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.393269 (E_RNA)
where:
Base-Base interactions energy: -26.769
where: short stacking energy: -25.292
Base-Backbone interact. energy: -0.111
local terms energy: -53.514192
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -9.376
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -83.517331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.517331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.517331 (E_RNA)
where:
Base-Base interactions energy: -32.484
where: short stacking energy: -28.161
Base-Backbone interact. energy: -0.014
local terms energy: -51.019530
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -4.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -74.319441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.319441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.319441 (E_RNA)
where:
Base-Base interactions energy: -30.588
where: short stacking energy: -23.342
Base-Backbone interact. energy: -0.302
local terms energy: -43.429258
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -228.467656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.467656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.467656 (E_RNA)
where:
Base-Base interactions energy: -155.878
where: short stacking energy: -62.644
Base-Backbone interact. energy: -0.215
local terms energy: -72.374815
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -219.652635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.652635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.652635 (E_RNA)
where:
Base-Base interactions energy: -142.368
where: short stacking energy: -55.997
Base-Backbone interact. energy: -0.042
local terms energy: -77.242673
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -19.358
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: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -213.706039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.706039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.706039 (E_RNA)
where:
Base-Base interactions energy: -147.130
where: short stacking energy: -51.510
Base-Backbone interact. energy: -0.519
local terms energy: -66.057431
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -218.767657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.767657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.767657 (E_RNA)
where:
Base-Base interactions energy: -150.923
where: short stacking energy: -58.663
Base-Backbone interact. energy: -0.006
local terms energy: -67.838481
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -202.460229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.460229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.460229 (E_RNA)
where:
Base-Base interactions energy: -142.441
where: short stacking energy: -52.554
Base-Backbone interact. energy: -0.084
local terms energy: -59.934890
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -177.696312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.696312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.696312 (E_RNA)
where:
Base-Base interactions energy: -131.301
where: short stacking energy: -43.924
Base-Backbone interact. energy: -0.174
local terms energy: -46.221146
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -3.488
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: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -90.317240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.317240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.317240 (E_RNA)
where:
Base-Base interactions energy: -34.662
where: short stacking energy: -26.672
Base-Backbone interact. energy: -0.099
local terms energy: -55.555849
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -79.817502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.817502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.817502 (E_RNA)
where:
Base-Base interactions energy: -24.879
where: short stacking energy: -25.279
Base-Backbone interact. energy: -0.381
local terms energy: -54.558307
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -8.120
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: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -78.376950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.376950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.376950 (E_RNA)
where:
Base-Base interactions energy: -33.171
where: short stacking energy: -23.070
Base-Backbone interact. energy: -0.427
local terms energy: -44.779306
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -8.329
flat angles C4'-P-C4' energy: -7.983
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -87.044698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.044698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.044698 (E_RNA)
where:
Base-Base interactions energy: -32.834
where: short stacking energy: -28.068
Base-Backbone interact. energy: -0.364
local terms energy: -53.846904
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -226.278167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.278167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.278167 (E_RNA)
where:
Base-Base interactions energy: -154.336
where: short stacking energy: -62.951
Base-Backbone interact. energy: -0.025
local terms energy: -71.916809
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -19.181
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: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -225.574164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.574164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.574164 (E_RNA)
where:
Base-Base interactions energy: -160.398
where: short stacking energy: -54.820
Base-Backbone interact. energy: -0.016
local terms energy: -65.160780
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -15.688
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: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -199.286503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.286503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.286503 (E_RNA)
where:
Base-Base interactions energy: -128.193
where: short stacking energy: -57.253
Base-Backbone interact. energy: -0.079
local terms energy: -71.015181
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -206.480906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.480906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.480906 (E_RNA)
where:
Base-Base interactions energy: -140.407
where: short stacking energy: -52.457
Base-Backbone interact. energy: 0.785
local terms energy: -66.858691
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -196.713669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.713669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.713669 (E_RNA)
where:
Base-Base interactions energy: -137.216
where: short stacking energy: -52.850
Base-Backbone interact. energy: -0.110
local terms energy: -59.387587
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -13.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -198.272038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.272038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.272038 (E_RNA)
where:
Base-Base interactions energy: -131.857
where: short stacking energy: -59.682
Base-Backbone interact. energy: -0.191
local terms energy: -66.223499
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -94.211056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.211056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.211056 (E_RNA)
where:
Base-Base interactions energy: -28.923
where: short stacking energy: -27.895
Base-Backbone interact. energy: -0.509
local terms energy: -64.779013
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -103.719026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.719026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.719026 (E_RNA)
where:
Base-Base interactions energy: -46.242
where: short stacking energy: -45.004
Base-Backbone interact. energy: -0.003
local terms energy: -57.473601
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -13.594
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: 337
Temperature: 1.300000
Total energy: -75.884373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.884373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.884373 (E_RNA)
where:
Base-Base interactions energy: -25.565
where: short stacking energy: -20.901
Base-Backbone interact. energy: -0.197
local terms energy: -50.122606
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -79.007275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.007275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.007275 (E_RNA)
where:
Base-Base interactions energy: -33.582
where: short stacking energy: -22.249
Base-Backbone interact. energy: -0.568
local terms energy: -44.856982
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -9.178
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -227.919505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.919505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.919505 (E_RNA)
where:
Base-Base interactions energy: -152.263
where: short stacking energy: -61.500
Base-Backbone interact. energy: -0.022
local terms energy: -75.633803
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -225.668564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.668564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.668564 (E_RNA)
where:
Base-Base interactions energy: -150.380
where: short stacking energy: -66.260
Base-Backbone interact. energy: -1.410
local terms energy: -73.878667
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -20.930
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: 338
Temperature: 1.000000
Total energy: -223.723029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.723029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.723029 (E_RNA)
where:
Base-Base interactions energy: -157.953
where: short stacking energy: -67.298
Base-Backbone interact. energy: -0.648
local terms energy: -65.122576
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -184.286477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.286477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.286477 (E_RNA)
where:
Base-Base interactions energy: -116.522
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.089
local terms energy: -67.675481
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -15.159
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: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -203.396684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.396684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.396684 (E_RNA)
where:
Base-Base interactions energy: -138.007
where: short stacking energy: -50.192
Base-Backbone interact. energy: -0.176
local terms energy: -65.214257
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -204.748754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.748754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.748754 (E_RNA)
where:
Base-Base interactions energy: -133.765
where: short stacking energy: -46.918
Base-Backbone interact. energy: -0.016
local terms energy: -70.968266
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -20.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -93.001567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.001567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.001567 (E_RNA)
where:
Base-Base interactions energy: -39.512
where: short stacking energy: -32.468
Base-Backbone interact. energy: -0.130
local terms energy: -53.359260
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -6.277
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: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -86.943104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.943104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.943104 (E_RNA)
where:
Base-Base interactions energy: -47.737
where: short stacking energy: -31.128
Base-Backbone interact. energy: -0.075
local terms energy: -39.131320
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -4.822
flat angles P-C4'-P energy: -4.935
tors. eta vs tors. theta energy: -2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -73.019577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.019577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.019577 (E_RNA)
where:
Base-Base interactions energy: -29.468
where: short stacking energy: -11.318
Base-Backbone interact. energy: -0.756
local terms energy: -42.796195
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: 7.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -83.315783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.315783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.315783 (E_RNA)
where:
Base-Base interactions energy: -38.694
where: short stacking energy: -26.288
Base-Backbone interact. energy: -1.028
local terms energy: -43.593419
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -216.773117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.773117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.773117 (E_RNA)
where:
Base-Base interactions energy: -146.472
where: short stacking energy: -58.566
Base-Backbone interact. energy: -0.124
local terms energy: -70.177144
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -218.626336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.626336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.626336 (E_RNA)
where:
Base-Base interactions energy: -147.713
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.043
local terms energy: -70.870626
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -16.017
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: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -217.495718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.495718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.495718 (E_RNA)
where:
Base-Base interactions energy: -146.613
where: short stacking energy: -59.535
Base-Backbone interact. energy: -0.789
local terms energy: -70.093279
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -20.581
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: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -213.480895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.480895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.480895 (E_RNA)
where:
Base-Base interactions energy: -138.857
where: short stacking energy: -57.863
Base-Backbone interact. energy: -0.717
local terms energy: -73.906946
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -196.411205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.411205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.411205 (E_RNA)
where:
Base-Base interactions energy: -132.263
where: short stacking energy: -49.496
Base-Backbone interact. energy: -0.761
local terms energy: -63.386579
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -4.668
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -203.465886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.465886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.465886 (E_RNA)
where:
Base-Base interactions energy: -134.816
where: short stacking energy: -53.467
Base-Backbone interact. energy: -1.024
local terms energy: -67.625283
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -98.682379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.682379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.682379 (E_RNA)
where:
Base-Base interactions energy: -45.394
where: short stacking energy: -19.965
Base-Backbone interact. energy: -0.336
local terms energy: -52.952376
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -12.674
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: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -87.697365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.697365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.697365 (E_RNA)
where:
Base-Base interactions energy: -37.251
where: short stacking energy: -27.155
Base-Backbone interact. energy: -0.656
local terms energy: -49.790428
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -80.586552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.586552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.586552 (E_RNA)
where:
Base-Base interactions energy: -32.433
where: short stacking energy: -28.194
Base-Backbone interact. energy: -0.100
local terms energy: -48.054419
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -3.967
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -70.289654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.289654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.289654 (E_RNA)
where:
Base-Base interactions energy: -26.808
where: short stacking energy: -17.847
Base-Backbone interact. energy: -0.009
local terms energy: -43.472431
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -6.899
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: 4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -223.794271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.794271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.794271 (E_RNA)
where:
Base-Base interactions energy: -144.754
where: short stacking energy: -53.205
Base-Backbone interact. energy: -0.200
local terms energy: -78.841073
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -17.996
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: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -220.354112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.354112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.354112 (E_RNA)
where:
Base-Base interactions energy: -149.074
where: short stacking energy: -58.575
Base-Backbone interact. energy: -0.055
local terms energy: -71.225159
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -209.292468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.292468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.292468 (E_RNA)
where:
Base-Base interactions energy: -145.975
where: short stacking energy: -59.215
Base-Backbone interact. energy: -0.034
local terms energy: -63.284160
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -14.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -211.806944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.806944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.806944 (E_RNA)
where:
Base-Base interactions energy: -151.524
where: short stacking energy: -61.537
Base-Backbone interact. energy: -0.740
local terms energy: -59.542805
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -195.297242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.297242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.297242 (E_RNA)
where:
Base-Base interactions energy: -117.787
where: short stacking energy: -60.484
Base-Backbone interact. energy: -0.470
local terms energy: -77.040155
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -189.521486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.521486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.521486 (E_RNA)
where:
Base-Base interactions energy: -122.299
where: short stacking energy: -53.160
Base-Backbone interact. energy: -0.285
local terms energy: -66.937360
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -15.929
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: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -91.394623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.394623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.394623 (E_RNA)
where:
Base-Base interactions energy: -44.468
where: short stacking energy: -32.747
Base-Backbone interact. energy: -0.283
local terms energy: -46.644195
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -78.423544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.423544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.423544 (E_RNA)
where:
Base-Base interactions energy: -27.121
where: short stacking energy: -27.121
Base-Backbone interact. energy: -0.215
local terms energy: -51.087740
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -75.276387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.276387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.276387 (E_RNA)
where:
Base-Base interactions energy: -25.869
where: short stacking energy: -20.651
Base-Backbone interact. energy: -0.292
local terms energy: -49.114880
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -80.477329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.477329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.477329 (E_RNA)
where:
Base-Base interactions energy: -29.962
where: short stacking energy: -29.387
Base-Backbone interact. energy: -0.235
local terms energy: -50.280016
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -2.439
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -223.367124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.367124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.367124 (E_RNA)
where:
Base-Base interactions energy: -154.647
where: short stacking energy: -59.253
Base-Backbone interact. energy: -0.781
local terms energy: -67.938837
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -219.386221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.386221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.386221 (E_RNA)
where:
Base-Base interactions energy: -143.311
where: short stacking energy: -57.446
Base-Backbone interact. energy: -0.249
local terms energy: -75.826114
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -212.949884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.949884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.949884 (E_RNA)
where:
Base-Base interactions energy: -147.179
where: short stacking energy: -59.682
Base-Backbone interact. energy: -0.009
local terms energy: -65.762402
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -12.381
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: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -207.290348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.290348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.290348 (E_RNA)
where:
Base-Base interactions energy: -135.303
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.058
local terms energy: -71.929677
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -210.658209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.658209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.658209 (E_RNA)
where:
Base-Base interactions energy: -147.165
where: short stacking energy: -52.265
Base-Backbone interact. energy: -0.010
local terms energy: -63.482642
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -8.878
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -16.175
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: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -105.734493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.734493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.734493 (E_RNA)
where:
Base-Base interactions energy: -45.531
where: short stacking energy: -45.531
Base-Backbone interact. energy: -0.075
local terms energy: -60.128689
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -10.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -149.218302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.218302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.218302 (E_RNA)
where:
Base-Base interactions energy: -97.252
where: short stacking energy: -49.462
Base-Backbone interact. energy: -0.668
local terms energy: -51.298756
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -85.229811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.229811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.229811 (E_RNA)
where:
Base-Base interactions energy: -28.935
where: short stacking energy: -28.537
Base-Backbone interact. energy: 0.121
local terms energy: -56.415607
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -0.256
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: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -85.037976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.037976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.037976 (E_RNA)
where:
Base-Base interactions energy: -37.254
where: short stacking energy: -23.847
Base-Backbone interact. energy: 0.220
local terms energy: -48.003838
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -74.128290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.128290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.128290 (E_RNA)
where:
Base-Base interactions energy: -30.831
where: short stacking energy: -15.566
Base-Backbone interact. energy: 1.471
local terms energy: -44.768060
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -2.011
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -229.108869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.108869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.108869 (E_RNA)
where:
Base-Base interactions energy: -154.348
where: short stacking energy: -68.220
Base-Backbone interact. energy: -0.259
local terms energy: -74.502260
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -16.478
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: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -218.949348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.949348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.949348 (E_RNA)
where:
Base-Base interactions energy: -146.262
where: short stacking energy: -54.475
Base-Backbone interact. energy: -0.080
local terms energy: -72.607116
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -215.813269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.813269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.813269 (E_RNA)
where:
Base-Base interactions energy: -143.039
where: short stacking energy: -65.910
Base-Backbone interact. energy: -0.013
local terms energy: -72.761560
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -21.945
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: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -199.920684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.920684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.920684 (E_RNA)
where:
Base-Base interactions energy: -138.039
where: short stacking energy: -56.883
Base-Backbone interact. energy: -0.547
local terms energy: -61.334136
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -13.860
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: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -198.385671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.385671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.385671 (E_RNA)
where:
Base-Base interactions energy: -130.776
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.377
local terms energy: -67.232850
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -117.495529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.495529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.495529 (E_RNA)
where:
Base-Base interactions energy: -60.843
where: short stacking energy: -32.913
Base-Backbone interact. energy: -0.108
local terms energy: -56.544462
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -110.404293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.404293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.404293 (E_RNA)
where:
Base-Base interactions energy: -56.363
where: short stacking energy: -43.184
Base-Backbone interact. energy: -0.113
local terms energy: -53.929100
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -10.667
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -87.767255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.767255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.767255 (E_RNA)
where:
Base-Base interactions energy: -41.007
where: short stacking energy: -34.095
Base-Backbone interact. energy: -0.852
local terms energy: -45.908056
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -8.853
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -96.718450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.718450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.718450 (E_RNA)
where:
Base-Base interactions energy: -49.642
where: short stacking energy: -24.178
Base-Backbone interact. energy: -0.252
local terms energy: -46.824175
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -6.394
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -78.021646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.021646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.021646 (E_RNA)
where:
Base-Base interactions energy: -31.738
where: short stacking energy: -9.150
Base-Backbone interact. energy: -1.136
local terms energy: -45.147109
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -4.711
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -227.543175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.543175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.543175 (E_RNA)
where:
Base-Base interactions energy: -151.308
where: short stacking energy: -62.775
Base-Backbone interact. energy: -0.052
local terms energy: -76.183871
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -213.425986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.425986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.425986 (E_RNA)
where:
Base-Base interactions energy: -145.575
where: short stacking energy: -63.766
Base-Backbone interact. energy: -0.367
local terms energy: -67.484710
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -224.764433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.764433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.764433 (E_RNA)
where:
Base-Base interactions energy: -150.551
where: short stacking energy: -71.670
Base-Backbone interact. energy: -0.036
local terms energy: -74.177801
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -23.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -217.380186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.380186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.380186 (E_RNA)
where:
Base-Base interactions energy: -148.500
where: short stacking energy: -59.743
Base-Backbone interact. energy: -0.012
local terms energy: -68.868530
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -200.862982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.862982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.862982 (E_RNA)
where:
Base-Base interactions energy: -139.803
where: short stacking energy: -50.963
Base-Backbone interact. energy: -0.024
local terms energy: -61.036068
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -123.344510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.344510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.344510 (E_RNA)
where:
Base-Base interactions energy: -68.574
where: short stacking energy: -33.171
Base-Backbone interact. energy: 0.493
local terms energy: -55.263200
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -6.033
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: 343
Temperature: 1.200000
Total energy: -107.862538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.862538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.862538 (E_RNA)
where:
Base-Base interactions energy: -60.945
where: short stacking energy: -39.805
Base-Backbone interact. energy: -1.207
local terms energy: -45.710676
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -4.505
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: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -96.362392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.362392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.362392 (E_RNA)
where:
Base-Base interactions energy: -44.183
where: short stacking energy: -33.693
Base-Backbone interact. energy: -0.420
local terms energy: -51.759979
where:
bonds (distance) C4'-P energy: -4.830
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -2.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -86.729518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.729518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.729518 (E_RNA)
where:
Base-Base interactions energy: -31.023
where: short stacking energy: -29.399
Base-Backbone interact. energy: -0.126
local terms energy: -55.580571
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -9.701
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: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -84.248073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.248073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.248073 (E_RNA)
where:
Base-Base interactions energy: -37.691
where: short stacking energy: -27.095
Base-Backbone interact. energy: -0.111
local terms energy: -46.446506
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -222.675668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.675668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.675668 (E_RNA)
where:
Base-Base interactions energy: -151.121
where: short stacking energy: -57.416
Base-Backbone interact. energy: -0.066
local terms energy: -71.488112
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -223.653520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.653520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.653520 (E_RNA)
where:
Base-Base interactions energy: -158.309
where: short stacking energy: -57.878
Base-Backbone interact. energy: -0.258
local terms energy: -65.085873
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -220.135016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.135016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.135016 (E_RNA)
where:
Base-Base interactions energy: -141.507
where: short stacking energy: -59.490
Base-Backbone interact. energy: 0.992
local terms energy: -79.620066
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -220.083807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.083807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.083807 (E_RNA)
where:
Base-Base interactions energy: -145.465
where: short stacking energy: -61.673
Base-Backbone interact. energy: -0.008
local terms energy: -74.610721
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -20.278
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: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -188.497134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.497134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.497134 (E_RNA)
where:
Base-Base interactions energy: -122.705
where: short stacking energy: -47.603
Base-Backbone interact. energy: -1.510
local terms energy: -64.281413
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -13.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -133.859140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.859140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.859140 (E_RNA)
where:
Base-Base interactions energy: -80.961
where: short stacking energy: -41.932
Base-Backbone interact. energy: -0.288
local terms energy: -52.610260
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -8.462
flat angles C4'-P-C4' energy: -9.750
flat angles P-C4'-P energy: -10.871
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: 7, replica: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -85.842643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.842643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.842643 (E_RNA)
where:
Base-Base interactions energy: -37.712
where: short stacking energy: -25.627
Base-Backbone interact. energy: -0.064
local terms energy: -48.066981
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -95.140589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.140589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.140589 (E_RNA)
where:
Base-Base interactions energy: -40.750
where: short stacking energy: -18.510
Base-Backbone interact. energy: -0.947
local terms energy: -53.443865
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -85.507603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.507603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.507603 (E_RNA)
where:
Base-Base interactions energy: -42.045
where: short stacking energy: -24.909
Base-Backbone interact. energy: -0.202
local terms energy: -43.260362
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: 2.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -84.958522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.958522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.958522 (E_RNA)
where:
Base-Base interactions energy: -30.101
where: short stacking energy: -30.101
Base-Backbone interact. energy: 0.109
local terms energy: -54.967023
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -4.279
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: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -219.438260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.438260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.438260 (E_RNA)
where:
Base-Base interactions energy: -146.974
where: short stacking energy: -55.834
Base-Backbone interact. energy: -0.017
local terms energy: -72.446612
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -18.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -217.621121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.621121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.621121 (E_RNA)
where:
Base-Base interactions energy: -163.264
where: short stacking energy: -52.046
Base-Backbone interact. energy: -0.097
local terms energy: -54.260208
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -9.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -212.615846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.615846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.615846 (E_RNA)
where:
Base-Base interactions energy: -142.283
where: short stacking energy: -62.515
Base-Backbone interact. energy: -0.008
local terms energy: -70.324458
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -212.750353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.750353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.750353 (E_RNA)
where:
Base-Base interactions energy: -149.383
where: short stacking energy: -62.150
Base-Backbone interact. energy: -0.068
local terms energy: -63.299026
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -184.846721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.846721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.846721 (E_RNA)
where:
Base-Base interactions energy: -134.962
where: short stacking energy: -53.225
Base-Backbone interact. energy: -0.073
local terms energy: -49.812331
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -2.808
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: 6, replica: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -94.053123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.053123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.053123 (E_RNA)
where:
Base-Base interactions energy: -35.506
where: short stacking energy: -34.190
Base-Backbone interact. energy: -0.026
local terms energy: -58.521502
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -9.929
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: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -106.027430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.027430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.027430 (E_RNA)
where:
Base-Base interactions energy: -53.097
where: short stacking energy: -39.623
Base-Backbone interact. energy: -1.007
local terms energy: -51.922895
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -8.272
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -7.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -89.920410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.920410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.920410 (E_RNA)
where:
Base-Base interactions energy: -43.390
where: short stacking energy: -22.871
Base-Backbone interact. energy: 0.132
local terms energy: -46.662329
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: 3.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -77.049187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.049187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.049187 (E_RNA)
where:
Base-Base interactions energy: -32.227
where: short stacking energy: -25.646
Base-Backbone interact. energy: -0.056
local terms energy: -44.765392
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -80.400206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.400206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.400206 (E_RNA)
where:
Base-Base interactions energy: -33.231
where: short stacking energy: -25.417
Base-Backbone interact. energy: -0.427
local terms energy: -46.742317
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -2.700
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: 346
Temperature: 0.900000
Total energy: -222.945030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.945030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.945030 (E_RNA)
where:
Base-Base interactions energy: -159.274
where: short stacking energy: -54.772
Base-Backbone interact. energy: -0.211
local terms energy: -63.459829
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -12.950
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: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -210.953828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.953828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.953828 (E_RNA)
where:
Base-Base interactions energy: -144.626
where: short stacking energy: -54.466
Base-Backbone interact. energy: -0.080
local terms energy: -66.247369
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -222.177340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.177340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.177340 (E_RNA)
where:
Base-Base interactions energy: -156.118
where: short stacking energy: -55.565
Base-Backbone interact. energy: 0.093
local terms energy: -66.151694
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -200.228427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.228427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.228427 (E_RNA)
where:
Base-Base interactions energy: -132.096
where: short stacking energy: -60.038
Base-Backbone interact. energy: -0.369
local terms energy: -67.763822
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -17.501
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: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -167.049701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.049701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.049701 (E_RNA)
where:
Base-Base interactions energy: -112.752
where: short stacking energy: -41.493
Base-Backbone interact. energy: -0.413
local terms energy: -53.884457
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -4.855
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: 346
Temperature: 1.150000
Total energy: -90.551716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.551716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.551716 (E_RNA)
where:
Base-Base interactions energy: -37.164
where: short stacking energy: -29.893
Base-Backbone interact. energy: -0.011
local terms energy: -53.376801
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -9.328
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: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -92.860252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.860252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.860252 (E_RNA)
where:
Base-Base interactions energy: -41.836
where: short stacking energy: -26.354
Base-Backbone interact. energy: -0.071
local terms energy: -50.953745
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -86.729656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.729656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.729656 (E_RNA)
where:
Base-Base interactions energy: -40.311
where: short stacking energy: -34.739
Base-Backbone interact. energy: -0.190
local terms energy: -46.228006
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -92.574768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.574768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.574768 (E_RNA)
where:
Base-Base interactions energy: -40.901
where: short stacking energy: -21.003
Base-Backbone interact. energy: -0.177
local terms energy: -51.496893
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -4.552
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: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -68.323757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.323757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.323757 (E_RNA)
where:
Base-Base interactions energy: -23.429
where: short stacking energy: -20.171
Base-Backbone interact. energy: -0.529
local terms energy: -44.365045
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -1.682
tors. eta vs tors. theta energy: -4.832
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: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -217.026433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.026433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.026433 (E_RNA)
where:
Base-Base interactions energy: -145.958
where: short stacking energy: -55.617
Base-Backbone interact. energy: -0.003
local terms energy: -71.066248
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -222.207570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.207570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.207570 (E_RNA)
where:
Base-Base interactions energy: -155.648
where: short stacking energy: -54.706
Base-Backbone interact. energy: -0.063
local terms energy: -66.496841
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -15.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -213.789085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.789085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.789085 (E_RNA)
where:
Base-Base interactions energy: -140.688
where: short stacking energy: -52.027
Base-Backbone interact. energy: -0.849
local terms energy: -72.251996
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -198.872272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.872272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.872272 (E_RNA)
where:
Base-Base interactions energy: -126.720
where: short stacking energy: -55.331
Base-Backbone interact. energy: -0.018
local terms energy: -72.134460
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -17.914
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: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -164.273586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.273586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.273586 (E_RNA)
where:
Base-Base interactions energy: -101.906
where: short stacking energy: -45.279
Base-Backbone interact. energy: -0.029
local terms energy: -62.338432
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -14.709
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: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -97.629300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.629300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.629300 (E_RNA)
where:
Base-Base interactions energy: -36.569
where: short stacking energy: -31.207
Base-Backbone interact. energy: -0.103
local terms energy: -60.957763
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -86.429774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.429774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.429774 (E_RNA)
where:
Base-Base interactions energy: -36.453
where: short stacking energy: -33.157
Base-Backbone interact. energy: -0.018
local terms energy: -49.958667
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -2.316
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: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -86.721156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.721156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.721156 (E_RNA)
where:
Base-Base interactions energy: -32.108
where: short stacking energy: -30.404
Base-Backbone interact. energy: -0.004
local terms energy: -54.609210
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -7.414
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: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -84.929548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.929548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.929548 (E_RNA)
where:
Base-Base interactions energy: -32.676
where: short stacking energy: -25.453
Base-Backbone interact. energy: 0.083
local terms energy: -52.336570
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -79.849631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.849631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.849631 (E_RNA)
where:
Base-Base interactions energy: -31.490
where: short stacking energy: -28.285
Base-Backbone interact. energy: -0.098
local terms energy: -48.261474
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -223.451774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.451774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.451774 (E_RNA)
where:
Base-Base interactions energy: -153.574
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.377
local terms energy: -69.500743
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -13.158
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: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -209.093254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.093254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.093254 (E_RNA)
where:
Base-Base interactions energy: -137.582
where: short stacking energy: -59.201
Base-Backbone interact. energy: -0.057
local terms energy: -71.454263
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -208.440995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.440995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.440995 (E_RNA)
where:
Base-Base interactions energy: -141.282
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.444
local terms energy: -66.714825
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -212.550781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.550781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.550781 (E_RNA)
where:
Base-Base interactions energy: -137.384
where: short stacking energy: -63.452
Base-Backbone interact. energy: -0.649
local terms energy: -74.518008
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -18.725
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: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -205.788442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.788442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.788442 (E_RNA)
where:
Base-Base interactions energy: -137.318
where: short stacking energy: -57.219
Base-Backbone interact. energy: -0.619
local terms energy: -67.852136
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -91.367644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.367644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.367644 (E_RNA)
where:
Base-Base interactions energy: -36.258
where: short stacking energy: -36.258
Base-Backbone interact. energy: 0.042
local terms energy: -55.152230
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -9.237
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: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -88.678666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.678666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.678666 (E_RNA)
where:
Base-Base interactions energy: -39.733
where: short stacking energy: -39.733
Base-Backbone interact. energy: -0.738
local terms energy: -48.208251
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -8.083
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: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -86.533147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.533147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.533147 (E_RNA)
where:
Base-Base interactions energy: -37.629
where: short stacking energy: -37.629
Base-Backbone interact. energy: -0.160
local terms energy: -48.744393
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -89.463275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.463275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.463275 (E_RNA)
where:
Base-Base interactions energy: -34.921
where: short stacking energy: -23.134
Base-Backbone interact. energy: -0.410
local terms energy: -54.132886
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -72.871316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.871316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.871316 (E_RNA)
where:
Base-Base interactions energy: -28.722
where: short stacking energy: -29.695
Base-Backbone interact. energy: -0.512
local terms energy: -43.637257
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: 2.346
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -222.001133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.001133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.001133 (E_RNA)
where:
Base-Base interactions energy: -146.502
where: short stacking energy: -63.615
Base-Backbone interact. energy: -0.234
local terms energy: -75.265521
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -221.799509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.799509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.799509 (E_RNA)
where:
Base-Base interactions energy: -150.764
where: short stacking energy: -56.293
Base-Backbone interact. energy: -0.065
local terms energy: -70.970245
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -15.177
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: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -215.294079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.294079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.294079 (E_RNA)
where:
Base-Base interactions energy: -147.701
where: short stacking energy: -57.961
Base-Backbone interact. energy: -0.002
local terms energy: -67.591000
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -201.153119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.153119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.153119 (E_RNA)
where:
Base-Base interactions energy: -138.454
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.001
local terms energy: -62.697900
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -185.243058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.243058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.243058 (E_RNA)
where:
Base-Base interactions energy: -121.658
where: short stacking energy: -53.027
Base-Backbone interact. energy: -0.440
local terms energy: -63.145860
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -91.680925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.680925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.680925 (E_RNA)
where:
Base-Base interactions energy: -33.230
where: short stacking energy: -31.982
Base-Backbone interact. energy: -0.119
local terms energy: -58.331317
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -86.555167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.555167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.555167 (E_RNA)
where:
Base-Base interactions energy: -35.984
where: short stacking energy: -27.688
Base-Backbone interact. energy: -0.151
local terms energy: -50.419956
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -8.827
flat angles P-C4'-P energy: -7.462
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: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -92.414582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.414582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.414582 (E_RNA)
where:
Base-Base interactions energy: -27.798
where: short stacking energy: -27.798
Base-Backbone interact. energy: -0.099
local terms energy: -64.517920
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -10.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -83.161511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.161511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.161511 (E_RNA)
where:
Base-Base interactions energy: -41.633
where: short stacking energy: -16.285
Base-Backbone interact. energy: -0.156
local terms energy: -41.372317
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -0.389
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: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -76.331192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.331192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.331192 (E_RNA)
where:
Base-Base interactions energy: -25.374
where: short stacking energy: -19.724
Base-Backbone interact. energy: -0.320
local terms energy: -50.637250
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -218.908455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.908455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.908455 (E_RNA)
where:
Base-Base interactions energy: -151.473
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.102
local terms energy: -67.333659
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -209.333773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.333773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.333773 (E_RNA)
where:
Base-Base interactions energy: -139.856
where: short stacking energy: -59.352
Base-Backbone interact. energy: 0.459
local terms energy: -69.936144
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -9.104
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -15.560
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: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -215.038198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.038198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.038198 (E_RNA)
where:
Base-Base interactions energy: -143.071
where: short stacking energy: -62.394
Base-Backbone interact. energy: -0.470
local terms energy: -71.497465
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -191.611672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.611672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.611672 (E_RNA)
where:
Base-Base interactions energy: -116.630
where: short stacking energy: -55.350
Base-Backbone interact. energy: -0.100
local terms energy: -74.882020
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -16.629
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: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -189.403245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.403245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.403245 (E_RNA)
where:
Base-Base interactions energy: -120.002
where: short stacking energy: -54.144
Base-Backbone interact. energy: -0.003
local terms energy: -69.398091
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -17.398
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: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -102.157860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.157860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.157860 (E_RNA)
where:
Base-Base interactions energy: -41.172
where: short stacking energy: -32.465
Base-Backbone interact. energy: -0.037
local terms energy: -60.948132
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -94.558626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.558626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.558626 (E_RNA)
where:
Base-Base interactions energy: -31.756
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.090
local terms energy: -62.712997
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -9.188
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: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -77.482265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.482265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.482265 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -16.353
Base-Backbone interact. energy: -1.437
local terms energy: -37.747168
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: 8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -85.528415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.528415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.528415 (E_RNA)
where:
Base-Base interactions energy: -30.286
where: short stacking energy: -30.286
Base-Backbone interact. energy: -0.168
local terms energy: -55.074619
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -73.440168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.440168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.440168 (E_RNA)
where:
Base-Base interactions energy: -32.404
where: short stacking energy: -25.411
Base-Backbone interact. energy: -0.748
local terms energy: -40.288080
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -4.807
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -221.268335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.268335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.268335 (E_RNA)
where:
Base-Base interactions energy: -148.775
where: short stacking energy: -58.263
Base-Backbone interact. energy: -0.014
local terms energy: -72.479021
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -219.884080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.884080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.884080 (E_RNA)
where:
Base-Base interactions energy: -151.583
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.121
local terms energy: -68.179591
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -14.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -204.088424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.088424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.088424 (E_RNA)
where:
Base-Base interactions energy: -136.875
where: short stacking energy: -53.468
Base-Backbone interact. energy: -0.105
local terms energy: -67.108332
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -14.019
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: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -209.073236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.073236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.073236 (E_RNA)
where:
Base-Base interactions energy: -137.438
where: short stacking energy: -68.540
Base-Backbone interact. energy: -0.097
local terms energy: -71.538886
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -19.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -201.224451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.224451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.224451 (E_RNA)
where:
Base-Base interactions energy: -136.818
where: short stacking energy: -55.085
Base-Backbone interact. energy: -0.002
local terms energy: -64.405024
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -12.898
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: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -84.424517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.424517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.424517 (E_RNA)
where:
Base-Base interactions energy: -34.539
where: short stacking energy: -31.302
Base-Backbone interact. energy: -0.093
local terms energy: -49.792135
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -94.243021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.243021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.243021 (E_RNA)
where:
Base-Base interactions energy: -40.223
where: short stacking energy: -37.857
Base-Backbone interact. energy: -0.018
local terms energy: -54.001766
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -89.291467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.291467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.291467 (E_RNA)
where:
Base-Base interactions energy: -40.384
where: short stacking energy: -29.573
Base-Backbone interact. energy: -0.240
local terms energy: -48.667426
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -77.475016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.475016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.475016 (E_RNA)
where:
Base-Base interactions energy: -31.974
where: short stacking energy: -25.373
Base-Backbone interact. energy: -0.094
local terms energy: -45.407187
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -7.255
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -82.427573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.427573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.427573 (E_RNA)
where:
Base-Base interactions energy: -23.264
where: short stacking energy: -20.804
Base-Backbone interact. energy: -0.065
local terms energy: -59.098985
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -226.096506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.096506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.096506 (E_RNA)
where:
Base-Base interactions energy: -154.678
where: short stacking energy: -55.804
Base-Backbone interact. energy: -0.046
local terms energy: -71.371915
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -224.553805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.553805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.553805 (E_RNA)
where:
Base-Base interactions energy: -153.658
where: short stacking energy: -59.023
Base-Backbone interact. energy: -0.089
local terms energy: -70.807054
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -221.648758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.648758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.648758 (E_RNA)
where:
Base-Base interactions energy: -143.277
where: short stacking energy: -61.321
Base-Backbone interact. energy: -0.086
local terms energy: -78.285857
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -206.416519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.416519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.416519 (E_RNA)
where:
Base-Base interactions energy: -135.757
where: short stacking energy: -54.860
Base-Backbone interact. energy: -0.034
local terms energy: -70.625546
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -15.502
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: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -202.754433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.754433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.754433 (E_RNA)
where:
Base-Base interactions energy: -132.621
where: short stacking energy: -51.466
Base-Backbone interact. energy: -0.003
local terms energy: -70.130661
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -14.891
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: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -94.990545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.990545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.990545 (E_RNA)
where:
Base-Base interactions energy: -42.930
where: short stacking energy: -23.523
Base-Backbone interact. energy: -0.180
local terms energy: -51.880255
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -91.298068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.298068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.298068 (E_RNA)
where:
Base-Base interactions energy: -36.444
where: short stacking energy: -34.784
Base-Backbone interact. energy: -0.186
local terms energy: -54.667781
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -5.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -93.484579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.484579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.484579 (E_RNA)
where:
Base-Base interactions energy: -37.086
where: short stacking energy: -29.789
Base-Backbone interact. energy: -0.177
local terms energy: -56.221812
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -5.840
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: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -75.340003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.340003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.340003 (E_RNA)
where:
Base-Base interactions energy: -23.308
where: short stacking energy: -23.308
Base-Backbone interact. energy: -0.391
local terms energy: -51.641045
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -72.778225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.778225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.778225 (E_RNA)
where:
Base-Base interactions energy: -23.032
where: short stacking energy: -22.777
Base-Backbone interact. energy: -0.157
local terms energy: -49.588750
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -6.984
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -225.786366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.786366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.786366 (E_RNA)
where:
Base-Base interactions energy: -154.053
where: short stacking energy: -54.998
Base-Backbone interact. energy: -0.073
local terms energy: -71.659705
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -213.129878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.129878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.129878 (E_RNA)
where:
Base-Base interactions energy: -149.386
where: short stacking energy: -54.400
Base-Backbone interact. energy: -0.098
local terms energy: -63.646304
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -216.057691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.057691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.057691 (E_RNA)
where:
Base-Base interactions energy: -149.288
where: short stacking energy: -52.228
Base-Backbone interact. energy: -0.019
local terms energy: -66.750794
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -213.781537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.781537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.781537 (E_RNA)
where:
Base-Base interactions energy: -142.050
where: short stacking energy: -60.202
Base-Backbone interact. energy: -1.757
local terms energy: -69.975093
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -7.500
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -19.633
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: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -190.379389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.379389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.379389 (E_RNA)
where:
Base-Base interactions energy: -126.566
where: short stacking energy: -54.397
Base-Backbone interact. energy: -0.152
local terms energy: -63.660785
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -17.443
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: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -89.036525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.036525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.036525 (E_RNA)
where:
Base-Base interactions energy: -30.891
where: short stacking energy: -29.836
Base-Backbone interact. energy: -0.202
local terms energy: -57.944242
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -10.115
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: 7, replica: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -90.252158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.252158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.252158 (E_RNA)
where:
Base-Base interactions energy: -40.338
where: short stacking energy: -40.338
Base-Backbone interact. energy: -0.153
local terms energy: -49.761558
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -2.152
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -103.846383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.846383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.846383 (E_RNA)
where:
Base-Base interactions energy: -41.840
where: short stacking energy: -28.787
Base-Backbone interact. energy: -0.249
local terms energy: -61.757564
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -9.339
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: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -88.764244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.764244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.764244 (E_RNA)
where:
Base-Base interactions energy: -33.739
where: short stacking energy: -33.739
Base-Backbone interact. energy: -0.085
local terms energy: -54.940794
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -8.446
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: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -80.075868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.075868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.075868 (E_RNA)
where:
Base-Base interactions energy: -27.464
where: short stacking energy: -22.233
Base-Backbone interact. energy: -0.003
local terms energy: -52.608450
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -213.072208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.072208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.072208 (E_RNA)
where:
Base-Base interactions energy: -151.824
where: short stacking energy: -48.897
Base-Backbone interact. energy: -0.022
local terms energy: -61.226371
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -222.041053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.041053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.041053 (E_RNA)
where:
Base-Base interactions energy: -158.671
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.521
local terms energy: -62.849056
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -16.668
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: 354
Temperature: 1.000000
Total energy: -213.954804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.954804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.954804 (E_RNA)
where:
Base-Base interactions energy: -136.115
where: short stacking energy: -67.307
Base-Backbone interact. energy: -0.015
local terms energy: -77.824757
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -207.417111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.417111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.417111 (E_RNA)
where:
Base-Base interactions energy: -134.841
where: short stacking energy: -43.998
Base-Backbone interact. energy: -0.839
local terms energy: -71.736557
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -190.997011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.997011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.997011 (E_RNA)
where:
Base-Base interactions energy: -127.628
where: short stacking energy: -49.234
Base-Backbone interact. energy: -0.076
local terms energy: -63.292643
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -16.897
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: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -91.963833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.963833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.963833 (E_RNA)
where:
Base-Base interactions energy: -35.411
where: short stacking energy: -30.480
Base-Backbone interact. energy: -0.137
local terms energy: -56.415862
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -10.177
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: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -117.111518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.111518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.111518 (E_RNA)
where:
Base-Base interactions energy: -58.559
where: short stacking energy: -40.390
Base-Backbone interact. energy: -0.082
local terms energy: -58.470747
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -83.324964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.324964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.324964 (E_RNA)
where:
Base-Base interactions energy: -35.777
where: short stacking energy: -29.422
Base-Backbone interact. energy: -0.018
local terms energy: -47.530280
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -7.085
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -6.995
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: 354
Temperature: 1.300000
Total energy: -81.616010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.616010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.616010 (E_RNA)
where:
Base-Base interactions energy: -24.961
where: short stacking energy: -24.961
Base-Backbone interact. energy: -0.032
local terms energy: -56.622530
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -86.843012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.843012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.843012 (E_RNA)
where:
Base-Base interactions energy: -32.005
where: short stacking energy: -24.426
Base-Backbone interact. energy: -0.445
local terms energy: -54.392788
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -2.678
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: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -221.564692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.564692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.564692 (E_RNA)
where:
Base-Base interactions energy: -150.347
where: short stacking energy: -57.503
Base-Backbone interact. energy: -0.105
local terms energy: -71.112648
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -218.387450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.387450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.387450 (E_RNA)
where:
Base-Base interactions energy: -141.278
where: short stacking energy: -65.620
Base-Backbone interact. energy: -0.046
local terms energy: -77.062715
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -22.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -218.687393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.687393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.687393 (E_RNA)
where:
Base-Base interactions energy: -141.500
where: short stacking energy: -60.946
Base-Backbone interact. energy: -0.709
local terms energy: -76.478621
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -20.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -194.685574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.685574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.685574 (E_RNA)
where:
Base-Base interactions energy: -141.934
where: short stacking energy: -47.835
Base-Backbone interact. energy: -0.104
local terms energy: -52.646847
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -9.180
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -211.364354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.364354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.364354 (E_RNA)
where:
Base-Base interactions energy: -143.510
where: short stacking energy: -55.264
Base-Backbone interact. energy: -0.165
local terms energy: -67.689655
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -11.903
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: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -97.237165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.237165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.237165 (E_RNA)
where:
Base-Base interactions energy: -40.766
where: short stacking energy: -27.675
Base-Backbone interact. energy: -0.056
local terms energy: -56.415586
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -93.405514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.405514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.405514 (E_RNA)
where:
Base-Base interactions energy: -44.814
where: short stacking energy: -29.424
Base-Backbone interact. energy: -0.095
local terms energy: -48.496334
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -4.163
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -82.786911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.786911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.786911 (E_RNA)
where:
Base-Base interactions energy: -30.476
where: short stacking energy: -30.388
Base-Backbone interact. energy: -0.066
local terms energy: -52.244170
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -9.589
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: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -84.637594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.637594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.637594 (E_RNA)
where:
Base-Base interactions energy: -29.749
where: short stacking energy: -28.997
Base-Backbone interact. energy: -0.010
local terms energy: -54.878952
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -7.748
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: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -77.433663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.433663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.433663 (E_RNA)
where:
Base-Base interactions energy: -37.472
where: short stacking energy: -28.824
Base-Backbone interact. energy: -0.242
local terms energy: -39.720093
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: 0.545
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: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -224.418334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.418334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.418334 (E_RNA)
where:
Base-Base interactions energy: -151.128
where: short stacking energy: -58.431
Base-Backbone interact. energy: -0.186
local terms energy: -73.103628
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -16.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -222.584042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.584042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.584042 (E_RNA)
where:
Base-Base interactions energy: -156.583
where: short stacking energy: -62.551
Base-Backbone interact. energy: -0.256
local terms energy: -65.745127
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -218.287211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.287211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.287211 (E_RNA)
where:
Base-Base interactions energy: -146.721
where: short stacking energy: -63.870
Base-Backbone interact. energy: 0.363
local terms energy: -71.928629
where:
bonds (distance) C4'-P energy: -8.581
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -211.422113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.422113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.422113 (E_RNA)
where:
Base-Base interactions energy: -146.694
where: short stacking energy: -56.119
Base-Backbone interact. energy: 0.189
local terms energy: -64.917634
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -182.444955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.444955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.444955 (E_RNA)
where:
Base-Base interactions energy: -124.698
where: short stacking energy: -43.511
Base-Backbone interact. energy: 1.233
local terms energy: -58.980157
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -8.004
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: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -102.873316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.873316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.873316 (E_RNA)
where:
Base-Base interactions energy: -53.581
where: short stacking energy: -33.641
Base-Backbone interact. energy: -0.074
local terms energy: -49.218145
where:
bonds (distance) C4'-P energy: -5.811
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -96.045154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.045154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.045154 (E_RNA)
where:
Base-Base interactions energy: -41.202
where: short stacking energy: -25.287
Base-Backbone interact. energy: 0.217
local terms energy: -55.060132
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -9.628
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: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -115.821703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.821703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.821703 (E_RNA)
where:
Base-Base interactions energy: -63.965
where: short stacking energy: -26.306
Base-Backbone interact. energy: 0.293
local terms energy: -52.150329
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -81.540116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.540116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.540116 (E_RNA)
where:
Base-Base interactions energy: -37.138
where: short stacking energy: -21.405
Base-Backbone interact. energy: 0.174
local terms energy: -44.576691
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -6.834
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -4.294
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: 356
Temperature: 1.350000
Total energy: -71.451808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.451808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.451808 (E_RNA)
where:
Base-Base interactions energy: -24.989
where: short stacking energy: -16.070
Base-Backbone interact. energy: 0.128
local terms energy: -46.591033
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -221.799627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.799627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.799627 (E_RNA)
where:
Base-Base interactions energy: -154.783
where: short stacking energy: -55.606
Base-Backbone interact. energy: -0.258
local terms energy: -66.758323
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -222.614370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.614370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.614370 (E_RNA)
where:
Base-Base interactions energy: -141.328
where: short stacking energy: -67.173
Base-Backbone interact. energy: -0.003
local terms energy: -81.282769
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -224.548559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.548559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.548559 (E_RNA)
where:
Base-Base interactions energy: -154.933
where: short stacking energy: -55.264
Base-Backbone interact. energy: -0.033
local terms energy: -69.582294
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -209.058715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.058715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.058715 (E_RNA)
where:
Base-Base interactions energy: -146.766
where: short stacking energy: -55.092
Base-Backbone interact. energy: -0.033
local terms energy: -62.259709
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -182.484702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.484702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.484702 (E_RNA)
where:
Base-Base interactions energy: -123.956
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.777
local terms energy: -57.750801
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -10.187
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: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -100.128544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.128544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.128544 (E_RNA)
where:
Base-Base interactions energy: -42.056
where: short stacking energy: -39.009
Base-Backbone interact. energy: -0.023
local terms energy: -58.049557
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -8.569
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: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -92.947789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.947789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.947789 (E_RNA)
where:
Base-Base interactions energy: -43.813
where: short stacking energy: -28.539
Base-Backbone interact. energy: -0.571
local terms energy: -48.564093
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -5.315
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: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -85.085269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.085269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.085269 (E_RNA)
where:
Base-Base interactions energy: -39.624
where: short stacking energy: -22.478
Base-Backbone interact. energy: 0.880
local terms energy: -46.341310
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: 1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -95.688905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.688905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.688905 (E_RNA)
where:
Base-Base interactions energy: -50.847
where: short stacking energy: -28.801
Base-Backbone interact. energy: -0.111
local terms energy: -44.731762
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -83.405881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.405881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.405881 (E_RNA)
where:
Base-Base interactions energy: -39.200
where: short stacking energy: -23.113
Base-Backbone interact. energy: -0.096
local terms energy: -44.110437
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -232.107077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.107077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.107077 (E_RNA)
where:
Base-Base interactions energy: -154.897
where: short stacking energy: -54.188
Base-Backbone interact. energy: -0.035
local terms energy: -77.174451
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -15.009
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: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -218.787309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.787309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.787309 (E_RNA)
where:
Base-Base interactions energy: -143.705
where: short stacking energy: -68.162
Base-Backbone interact. energy: -0.807
local terms energy: -74.276146
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -22.001
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: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -205.635276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.635276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.635276 (E_RNA)
where:
Base-Base interactions energy: -143.069
where: short stacking energy: -48.130
Base-Backbone interact. energy: -0.014
local terms energy: -62.552282
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -207.187619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.187619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.187619 (E_RNA)
where:
Base-Base interactions energy: -131.995
where: short stacking energy: -57.341
Base-Backbone interact. energy: -0.077
local terms energy: -75.115960
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -206.086860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.086860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.086860 (E_RNA)
where:
Base-Base interactions energy: -133.236
where: short stacking energy: -58.861
Base-Backbone interact. energy: -0.607
local terms energy: -72.244453
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -18.328
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: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -89.235783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.235783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.235783 (E_RNA)
where:
Base-Base interactions energy: -35.642
where: short stacking energy: -25.380
Base-Backbone interact. energy: -2.392
local terms energy: -51.201892
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -10.569
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: 7, replica: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -97.337109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.337109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.337109 (E_RNA)
where:
Base-Base interactions energy: -48.206
where: short stacking energy: -33.960
Base-Backbone interact. energy: 0.663
local terms energy: -49.794174
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -7.999
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: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -90.586399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.586399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.586399 (E_RNA)
where:
Base-Base interactions energy: -31.354
where: short stacking energy: -28.364
Base-Backbone interact. energy: -0.132
local terms energy: -59.101075
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -8.170
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: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -77.369302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.369302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.369302 (E_RNA)
where:
Base-Base interactions energy: -24.063
where: short stacking energy: -24.063
Base-Backbone interact. energy: 1.560
local terms energy: -54.866294
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -80.821638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.821638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.821638 (E_RNA)
where:
Base-Base interactions energy: -28.735
where: short stacking energy: -23.009
Base-Backbone interact. energy: -0.202
local terms energy: -51.884997
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -10.041
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -221.269199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.269199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.269199 (E_RNA)
where:
Base-Base interactions energy: -148.006
where: short stacking energy: -57.829
Base-Backbone interact. energy: -0.096
local terms energy: -73.167011
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -225.297630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.297630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.297630 (E_RNA)
where:
Base-Base interactions energy: -148.203
where: short stacking energy: -68.391
Base-Backbone interact. energy: -0.723
local terms energy: -76.370752
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -210.699558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.699558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.699558 (E_RNA)
where:
Base-Base interactions energy: -146.491
where: short stacking energy: -54.696
Base-Backbone interact. energy: -0.056
local terms energy: -64.151984
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -215.008596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.008596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.008596 (E_RNA)
where:
Base-Base interactions energy: -138.937
where: short stacking energy: -60.711
Base-Backbone interact. energy: -0.002
local terms energy: -76.069308
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -203.607583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.607583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.607583 (E_RNA)
where:
Base-Base interactions energy: -128.099
where: short stacking energy: -53.692
Base-Backbone interact. energy: -0.098
local terms energy: -75.410978
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -89.639958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.639958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.639958 (E_RNA)
where:
Base-Base interactions energy: -41.341
where: short stacking energy: -39.728
Base-Backbone interact. energy: -1.028
local terms energy: -47.271628
where:
bonds (distance) C4'-P energy: -9.102
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -89.204605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.204605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.204605 (E_RNA)
where:
Base-Base interactions energy: -32.947
where: short stacking energy: -26.142
Base-Backbone interact. energy: -0.013
local terms energy: -56.244856
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -8.215
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: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -84.927139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.927139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.927139 (E_RNA)
where:
Base-Base interactions energy: -34.293
where: short stacking energy: -33.332
Base-Backbone interact. energy: -0.274
local terms energy: -50.359318
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -87.988863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.988863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.988863 (E_RNA)
where:
Base-Base interactions energy: -30.120
where: short stacking energy: -30.120
Base-Backbone interact. energy: -0.010
local terms energy: -57.858636
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -72.509495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.509495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.509495 (E_RNA)
where:
Base-Base interactions energy: -20.971
where: short stacking energy: -20.971
Base-Backbone interact. energy: -0.088
local terms energy: -51.450608
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -4.115
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: 360
Temperature: 0.900000
Total energy: -222.345882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.345882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.345882 (E_RNA)
where:
Base-Base interactions energy: -154.601
where: short stacking energy: -59.164
Base-Backbone interact. energy: -0.012
local terms energy: -67.733008
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -219.483187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.483187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.483187 (E_RNA)
where:
Base-Base interactions energy: -144.413
where: short stacking energy: -62.488
Base-Backbone interact. energy: -0.007
local terms energy: -75.062762
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -208.190652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.190652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.190652 (E_RNA)
where:
Base-Base interactions energy: -139.934
where: short stacking energy: -55.338
Base-Backbone interact. energy: -0.089
local terms energy: -68.168334
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -17.356
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: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -206.039748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.039748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.039748 (E_RNA)
where:
Base-Base interactions energy: -137.345
where: short stacking energy: -47.181
Base-Backbone interact. energy: -0.508
local terms energy: -68.186909
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -189.088599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.088599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.088599 (E_RNA)
where:
Base-Base interactions energy: -118.186
where: short stacking energy: -47.810
Base-Backbone interact. energy: -0.763
local terms energy: -70.139660
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -94.052648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.052648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.052648 (E_RNA)
where:
Base-Base interactions energy: -38.550
where: short stacking energy: -36.884
Base-Backbone interact. energy: -0.171
local terms energy: -55.331725
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -9.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -90.974385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.974385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.974385 (E_RNA)
where:
Base-Base interactions energy: -41.467
where: short stacking energy: -36.787
Base-Backbone interact. energy: -0.027
local terms energy: -49.480175
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -9.861
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -85.728403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.728403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.728403 (E_RNA)
where:
Base-Base interactions energy: -40.221
where: short stacking energy: -24.780
Base-Backbone interact. energy: -0.675
local terms energy: -44.832245
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -3.669
tors. eta vs tors. theta energy: 0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -80.562430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.562430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.562430 (E_RNA)
where:
Base-Base interactions energy: -37.223
where: short stacking energy: -29.985
Base-Backbone interact. energy: 0.598
local terms energy: -43.936995
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -3.761
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -79.032834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.032834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.032834 (E_RNA)
where:
Base-Base interactions energy: -31.842
where: short stacking energy: -31.842
Base-Backbone interact. energy: -0.112
local terms energy: -47.077996
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -221.901611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.901611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.901611 (E_RNA)
where:
Base-Base interactions energy: -155.381
where: short stacking energy: -56.872
Base-Backbone interact. energy: -1.438
local terms energy: -65.082506
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -12.365
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: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -217.949218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.949218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.949218 (E_RNA)
where:
Base-Base interactions energy: -146.150
where: short stacking energy: -52.804
Base-Backbone interact. energy: 0.641
local terms energy: -72.439547
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -14.056
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: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -216.485521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.485521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.485521 (E_RNA)
where:
Base-Base interactions energy: -141.618
where: short stacking energy: -54.093
Base-Backbone interact. energy: -0.005
local terms energy: -74.861700
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -17.499
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: 4, replica: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -189.298214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.298214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.298214 (E_RNA)
where:
Base-Base interactions energy: -123.477
where: short stacking energy: -47.952
Base-Backbone interact. energy: -0.954
local terms energy: -64.866604
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -12.415
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: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -175.944898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.944898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.944898 (E_RNA)
where:
Base-Base interactions energy: -115.003
where: short stacking energy: -47.193
Base-Backbone interact. energy: -0.205
local terms energy: -60.736266
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -13.841
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: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -93.469994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.469994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.469994 (E_RNA)
where:
Base-Base interactions energy: -35.701
where: short stacking energy: -33.508
Base-Backbone interact. energy: -0.094
local terms energy: -57.674209
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -94.326621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.326621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.326621 (E_RNA)
where:
Base-Base interactions energy: -45.278
where: short stacking energy: -45.278
Base-Backbone interact. energy: -0.186
local terms energy: -48.862338
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -8.162
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: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -84.395093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.395093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.395093 (E_RNA)
where:
Base-Base interactions energy: -36.209
where: short stacking energy: -33.985
Base-Backbone interact. energy: -0.052
local terms energy: -48.134306
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -8.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -79.493530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.493530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.493530 (E_RNA)
where:
Base-Base interactions energy: -34.012
where: short stacking energy: -19.312
Base-Backbone interact. energy: -0.559
local terms energy: -44.922916
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -3.420
tors. eta vs tors. theta energy: -0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -76.170468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.170468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.170468 (E_RNA)
where:
Base-Base interactions energy: -30.037
where: short stacking energy: -30.037
Base-Backbone interact. energy: -0.097
local terms energy: -46.036930
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -10.187
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -221.430511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.430511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.430511 (E_RNA)
where:
Base-Base interactions energy: -150.829
where: short stacking energy: -55.305
Base-Backbone interact. energy: -0.106
local terms energy: -70.496462
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -14.813
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: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -212.180640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.180640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.180640 (E_RNA)
where:
Base-Base interactions energy: -152.223
where: short stacking energy: -53.093
Base-Backbone interact. energy: -0.073
local terms energy: -59.884135
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -217.760934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.760934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.760934 (E_RNA)
where:
Base-Base interactions energy: -142.064
where: short stacking energy: -56.347
Base-Backbone interact. energy: -0.114
local terms energy: -75.582809
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -194.017371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.017371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.017371 (E_RNA)
where:
Base-Base interactions energy: -134.824
where: short stacking energy: -60.738
Base-Backbone interact. energy: -1.460
local terms energy: -57.732777
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -17.202
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: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -199.532647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.532647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.532647 (E_RNA)
where:
Base-Base interactions energy: -126.766
where: short stacking energy: -59.720
Base-Backbone interact. energy: -0.054
local terms energy: -72.712450
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -19.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -101.205963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.205963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.205963 (E_RNA)
where:
Base-Base interactions energy: -43.208
where: short stacking energy: -39.762
Base-Backbone interact. energy: -0.678
local terms energy: -57.320084
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -9.859
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: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -106.841191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.841191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.841191 (E_RNA)
where:
Base-Base interactions energy: -50.629
where: short stacking energy: -35.628
Base-Backbone interact. energy: -0.160
local terms energy: -56.051803
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -7.729
flat angles P-C4'-P energy: -10.014
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: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -91.499163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.499163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.499163 (E_RNA)
where:
Base-Base interactions energy: -34.321
where: short stacking energy: -33.638
Base-Backbone interact. energy: -0.182
local terms energy: -56.995971
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -91.349368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.349368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.349368 (E_RNA)
where:
Base-Base interactions energy: -41.108
where: short stacking energy: -25.763
Base-Backbone interact. energy: -0.441
local terms energy: -49.800642
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -79.734551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.734551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.734551 (E_RNA)
where:
Base-Base interactions energy: -32.640
where: short stacking energy: -31.765
Base-Backbone interact. energy: -0.330
local terms energy: -46.765073
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -7.120
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -219.368821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.368821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.368821 (E_RNA)
where:
Base-Base interactions energy: -149.380
where: short stacking energy: -60.073
Base-Backbone interact. energy: 0.100
local terms energy: -70.088683
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -225.969201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.969201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.969201 (E_RNA)
where:
Base-Base interactions energy: -155.583
where: short stacking energy: -66.879
Base-Backbone interact. energy: -0.001
local terms energy: -70.384330
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -18.575
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: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -202.981020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.981020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.981020 (E_RNA)
where:
Base-Base interactions energy: -139.065
where: short stacking energy: -59.860
Base-Backbone interact. energy: -0.009
local terms energy: -63.906940
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -208.753482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.753482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.753482 (E_RNA)
where:
Base-Base interactions energy: -138.438
where: short stacking energy: -57.414
Base-Backbone interact. energy: -0.095
local terms energy: -70.220553
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -193.781574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.781574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.781574 (E_RNA)
where:
Base-Base interactions energy: -130.593
where: short stacking energy: -52.678
Base-Backbone interact. energy: 0.369
local terms energy: -63.557147
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -119.088163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.088163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.088163 (E_RNA)
where:
Base-Base interactions energy: -68.331
where: short stacking energy: -40.502
Base-Backbone interact. energy: -0.127
local terms energy: -50.629993
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -5.807
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -96.477525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.477525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.477525 (E_RNA)
where:
Base-Base interactions energy: -53.393
where: short stacking energy: -29.358
Base-Backbone interact. energy: -0.249
local terms energy: -42.835435
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -80.449572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.449572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.449572 (E_RNA)
where:
Base-Base interactions energy: -26.355
where: short stacking energy: -25.417
Base-Backbone interact. energy: -0.020
local terms energy: -54.074868
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -89.345664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.345664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.345664 (E_RNA)
where:
Base-Base interactions energy: -32.942
where: short stacking energy: -20.612
Base-Backbone interact. energy: 0.230
local terms energy: -56.632714
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -82.530637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.530637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.530637 (E_RNA)
where:
Base-Base interactions energy: -30.455
where: short stacking energy: -29.966
Base-Backbone interact. energy: 1.749
local terms energy: -53.824258
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -10.847
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: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -228.023388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.023388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.023388 (E_RNA)
where:
Base-Base interactions energy: -153.463
where: short stacking energy: -54.195
Base-Backbone interact. energy: -0.045
local terms energy: -74.515479
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -215.053065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.053065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.053065 (E_RNA)
where:
Base-Base interactions energy: -141.278
where: short stacking energy: -57.378
Base-Backbone interact. energy: -0.157
local terms energy: -73.618419
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -15.302
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: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -207.351491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.351491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.351491 (E_RNA)
where:
Base-Base interactions energy: -137.748
where: short stacking energy: -61.324
Base-Backbone interact. energy: 0.049
local terms energy: -69.651758
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -201.539498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.539498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.539498 (E_RNA)
where:
Base-Base interactions energy: -143.097
where: short stacking energy: -59.073
Base-Backbone interact. energy: -0.003
local terms energy: -58.438831
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -154.656940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.656940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.656940 (E_RNA)
where:
Base-Base interactions energy: -102.526
where: short stacking energy: -44.235
Base-Backbone interact. energy: -0.053
local terms energy: -52.077493
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -182.832078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.832078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.832078 (E_RNA)
where:
Base-Base interactions energy: -122.297
where: short stacking energy: -53.199
Base-Backbone interact. energy: -0.098
local terms energy: -60.436650
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -10.508
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: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -111.825634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.825634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.825634 (E_RNA)
where:
Base-Base interactions energy: -63.832
where: short stacking energy: -34.195
Base-Backbone interact. energy: -0.738
local terms energy: -47.255865
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -5.653
flat angles P-C4'-P energy: -6.849
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: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -88.758921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.758921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.758921 (E_RNA)
where:
Base-Base interactions energy: -39.390
where: short stacking energy: -39.390
Base-Backbone interact. energy: -0.018
local terms energy: -49.351031
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -88.227625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.227625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.227625 (E_RNA)
where:
Base-Base interactions energy: -33.988
where: short stacking energy: -33.988
Base-Backbone interact. energy: -0.561
local terms energy: -53.678509
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -3.736
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: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -75.252040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.252040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.252040 (E_RNA)
where:
Base-Base interactions energy: -21.650
where: short stacking energy: -17.703
Base-Backbone interact. energy: -0.646
local terms energy: -52.956493
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -231.011040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.011040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.011040 (E_RNA)
where:
Base-Base interactions energy: -155.293
where: short stacking energy: -58.994
Base-Backbone interact. energy: -0.003
local terms energy: -75.714301
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -209.810219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.810219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.810219 (E_RNA)
where:
Base-Base interactions energy: -142.503
where: short stacking energy: -61.770
Base-Backbone interact. energy: -0.635
local terms energy: -66.671707
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -189.625368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.625368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.625368 (E_RNA)
where:
Base-Base interactions energy: -128.317
where: short stacking energy: -52.851
Base-Backbone interact. energy: -0.036
local terms energy: -61.271775
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -189.549761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.549761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.549761 (E_RNA)
where:
Base-Base interactions energy: -125.429
where: short stacking energy: -49.950
Base-Backbone interact. energy: -0.073
local terms energy: -64.048276
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -9.299
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: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -196.048460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.048460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.048460 (E_RNA)
where:
Base-Base interactions energy: -135.555
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.744
local terms energy: -59.748993
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -4.746
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: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -184.635734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.635734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.635734 (E_RNA)
where:
Base-Base interactions energy: -121.396
where: short stacking energy: -36.864
Base-Backbone interact. energy: -0.455
local terms energy: -62.785155
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -7.158
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: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -86.239113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.239113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.239113 (E_RNA)
where:
Base-Base interactions energy: -37.583
where: short stacking energy: -37.583
Base-Backbone interact. energy: -0.130
local terms energy: -48.525876
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -91.414886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.414886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.414886 (E_RNA)
where:
Base-Base interactions energy: -38.510
where: short stacking energy: -17.416
Base-Backbone interact. energy: -0.104
local terms energy: -52.800845
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -79.590333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.590333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.590333 (E_RNA)
where:
Base-Base interactions energy: -28.406
where: short stacking energy: -24.338
Base-Backbone interact. energy: -0.055
local terms energy: -51.128350
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -4.123
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: 365
Temperature: 1.350000
Total energy: -71.830613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.830613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.830613 (E_RNA)
where:
Base-Base interactions energy: -24.024
where: short stacking energy: -24.465
Base-Backbone interact. energy: -0.661
local terms energy: -47.145555
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -6.981
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -225.034473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.034473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.034473 (E_RNA)
where:
Base-Base interactions energy: -150.210
where: short stacking energy: -62.327
Base-Backbone interact. energy: -0.058
local terms energy: -74.766921
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -215.865587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.865587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.865587 (E_RNA)
where:
Base-Base interactions energy: -141.096
where: short stacking energy: -52.850
Base-Backbone interact. energy: 0.076
local terms energy: -74.845675
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -18.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -208.804285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.804285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.804285 (E_RNA)
where:
Base-Base interactions energy: -135.286
where: short stacking energy: -50.072
Base-Backbone interact. energy: -0.285
local terms energy: -73.233759
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -190.374745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.374745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.374745 (E_RNA)
where:
Base-Base interactions energy: -124.412
where: short stacking energy: -49.489
Base-Backbone interact. energy: -1.806
local terms energy: -64.157341
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -205.011958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.011958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.011958 (E_RNA)
where:
Base-Base interactions energy: -135.541
where: short stacking energy: -63.720
Base-Backbone interact. energy: -0.021
local terms energy: -69.450006
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -181.607557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.607557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.607557 (E_RNA)
where:
Base-Base interactions energy: -126.867
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.125
local terms energy: -54.615900
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -6.635
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -9.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -84.427675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.427675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.427675 (E_RNA)
where:
Base-Base interactions energy: -43.692
where: short stacking energy: -17.863
Base-Backbone interact. energy: -0.258
local terms energy: -40.477542
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -78.355926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.355926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.355926 (E_RNA)
where:
Base-Base interactions energy: -28.306
where: short stacking energy: -20.939
Base-Backbone interact. energy: -0.151
local terms energy: -49.899275
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -85.406772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.406772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.406772 (E_RNA)
where:
Base-Base interactions energy: -30.498
where: short stacking energy: -29.621
Base-Backbone interact. energy: -0.328
local terms energy: -54.581101
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.323
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: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -78.146365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.146365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.146365 (E_RNA)
where:
Base-Base interactions energy: -33.533
where: short stacking energy: -29.754
Base-Backbone interact. energy: 2.720
local terms energy: -47.333969
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -2.552
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -230.446623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.446623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.446623 (E_RNA)
where:
Base-Base interactions energy: -151.743
where: short stacking energy: -57.290
Base-Backbone interact. energy: -0.598
local terms energy: -78.105080
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -16.779
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: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -210.053457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.053457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.053457 (E_RNA)
where:
Base-Base interactions energy: -139.729
where: short stacking energy: -56.861
Base-Backbone interact. energy: -0.331
local terms energy: -69.992924
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -17.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -222.363767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.363767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.363767 (E_RNA)
where:
Base-Base interactions energy: -141.083
where: short stacking energy: -67.236
Base-Backbone interact. energy: 0.068
local terms energy: -81.349219
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -23.000
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: 367
Temperature: 1.050000
Total energy: -199.460226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.460226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.460226 (E_RNA)
where:
Base-Base interactions energy: -124.664
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.030
local terms energy: -74.766502
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -206.758711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.758711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.758711 (E_RNA)
where:
Base-Base interactions energy: -144.619
where: short stacking energy: -54.983
Base-Backbone interact. energy: -0.249
local terms energy: -61.890604
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -19.654
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: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -202.702349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.702349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.702349 (E_RNA)
where:
Base-Base interactions energy: -136.041
where: short stacking energy: -59.386
Base-Backbone interact. energy: -0.680
local terms energy: -65.980823
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -101.287543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.287543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.287543 (E_RNA)
where:
Base-Base interactions energy: -33.992
where: short stacking energy: -25.454
Base-Backbone interact. energy: -0.435
local terms energy: -66.860617
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -76.083743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.083743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.083743 (E_RNA)
where:
Base-Base interactions energy: -27.603
where: short stacking energy: -19.181
Base-Backbone interact. energy: -0.777
local terms energy: -47.703932
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: 1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -84.681636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.681636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.681636 (E_RNA)
where:
Base-Base interactions energy: -28.677
where: short stacking energy: -28.677
Base-Backbone interact. energy: -0.132
local terms energy: -55.872026
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -82.402145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.402145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.402145 (E_RNA)
where:
Base-Base interactions energy: -27.021
where: short stacking energy: -21.645
Base-Backbone interact. energy: 0.662
local terms energy: -56.043696
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -225.418944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.418944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.418944 (E_RNA)
where:
Base-Base interactions energy: -152.723
where: short stacking energy: -60.979
Base-Backbone interact. energy: -0.328
local terms energy: -72.367366
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -18.904
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: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -207.386928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.386928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.386928 (E_RNA)
where:
Base-Base interactions energy: -139.713
where: short stacking energy: -68.037
Base-Backbone interact. energy: -1.108
local terms energy: -66.565458
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -200.406134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.406134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.406134 (E_RNA)
where:
Base-Base interactions energy: -131.550
where: short stacking energy: -52.226
Base-Backbone interact. energy: -0.063
local terms energy: -68.793187
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -216.100456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.100456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.100456 (E_RNA)
where:
Base-Base interactions energy: -145.455
where: short stacking energy: -56.309
Base-Backbone interact. energy: -0.018
local terms energy: -70.627179
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -17.320
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: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -191.170771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.170771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.170771 (E_RNA)
where:
Base-Base interactions energy: -125.196
where: short stacking energy: -54.706
Base-Backbone interact. energy: 1.218
local terms energy: -67.192793
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -185.816044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.816044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.816044 (E_RNA)
where:
Base-Base interactions energy: -121.344
where: short stacking energy: -50.358
Base-Backbone interact. energy: -0.101
local terms energy: -64.370387
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -98.960493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.960493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.960493 (E_RNA)
where:
Base-Base interactions energy: -44.314
where: short stacking energy: -30.572
Base-Backbone interact. energy: -1.335
local terms energy: -53.311579
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -88.939436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.939436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.939436 (E_RNA)
where:
Base-Base interactions energy: -33.255
where: short stacking energy: -32.836
Base-Backbone interact. energy: -0.138
local terms energy: -55.546031
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -8.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -78.230570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.230570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.230570 (E_RNA)
where:
Base-Base interactions energy: -25.830
where: short stacking energy: -25.830
Base-Backbone interact. energy: 1.862
local terms energy: -54.262111
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -73.262213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.262213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.262213 (E_RNA)
where:
Base-Base interactions energy: -25.176
where: short stacking energy: -18.452
Base-Backbone interact. energy: -0.037
local terms energy: -48.048936
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -228.216223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.216223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.216223 (E_RNA)
where:
Base-Base interactions energy: -148.237
where: short stacking energy: -64.202
Base-Backbone interact. energy: -0.101
local terms energy: -79.878074
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -21.308
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: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -209.717766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.717766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.717766 (E_RNA)
where:
Base-Base interactions energy: -143.875
where: short stacking energy: -58.742
Base-Backbone interact. energy: -1.163
local terms energy: -64.679951
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -19.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -205.028246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.028246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.028246 (E_RNA)
where:
Base-Base interactions energy: -130.643
where: short stacking energy: -60.722
Base-Backbone interact. energy: -0.228
local terms energy: -74.157561
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -210.863629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.863629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.863629 (E_RNA)
where:
Base-Base interactions energy: -133.978
where: short stacking energy: -56.178
Base-Backbone interact. energy: 0.233
local terms energy: -77.118907
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -16.107
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: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -201.904539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.904539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.904539 (E_RNA)
where:
Base-Base interactions energy: -131.369
where: short stacking energy: -57.629
Base-Backbone interact. energy: -1.276
local terms energy: -69.259087
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -186.333713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.333713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.333713 (E_RNA)
where:
Base-Base interactions energy: -123.738
where: short stacking energy: -58.693
Base-Backbone interact. energy: -0.088
local terms energy: -62.507416
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -93.733474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.733474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.733474 (E_RNA)
where:
Base-Base interactions energy: -36.134
where: short stacking energy: -36.134
Base-Backbone interact. energy: 1.244
local terms energy: -58.843627
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -9.165
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: 369
Temperature: 1.250000
Total energy: -94.395435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.395435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.395435 (E_RNA)
where:
Base-Base interactions energy: -51.100
where: short stacking energy: -19.016
Base-Backbone interact. energy: -0.438
local terms energy: -42.857867
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -8.593
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: 4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -83.481444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.481444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.481444 (E_RNA)
where:
Base-Base interactions energy: -39.202
where: short stacking energy: -18.188
Base-Backbone interact. energy: -0.433
local terms energy: -43.846292
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -6.613
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: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -78.042624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.042624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.042624 (E_RNA)
where:
Base-Base interactions energy: -32.580
where: short stacking energy: -28.101
Base-Backbone interact. energy: -0.119
local terms energy: -45.343817
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -9.756
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: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -218.621290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.621290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.621290 (E_RNA)
where:
Base-Base interactions energy: -148.327
where: short stacking energy: -54.438
Base-Backbone interact. energy: -0.382
local terms energy: -69.912024
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -222.003302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.003302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.003302 (E_RNA)
where:
Base-Base interactions energy: -146.671
where: short stacking energy: -61.417
Base-Backbone interact. energy: -0.808
local terms energy: -74.524737
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -18.244
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: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -218.821586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.821586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.821586 (E_RNA)
where:
Base-Base interactions energy: -152.189
where: short stacking energy: -65.126
Base-Backbone interact. energy: -0.149
local terms energy: -66.483816
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -13.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -215.269647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.269647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.269647 (E_RNA)
where:
Base-Base interactions energy: -142.762
where: short stacking energy: -55.202
Base-Backbone interact. energy: -0.674
local terms energy: -71.833422
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -18.444
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: 370
Temperature: 1.100000
Total energy: -205.466507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.466507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.466507 (E_RNA)
where:
Base-Base interactions energy: -135.560
where: short stacking energy: -50.860
Base-Backbone interact. energy: -0.096
local terms energy: -69.810188
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -189.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.895914 (E_RNA)
where:
Base-Base interactions energy: -119.888
where: short stacking energy: -58.740
Base-Backbone interact. energy: -0.461
local terms energy: -69.546947
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -21.098
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: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -102.495970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.495970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.495970 (E_RNA)
where:
Base-Base interactions energy: -47.124
where: short stacking energy: -29.753
Base-Backbone interact. energy: -0.108
local terms energy: -55.263828
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -7.180
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: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -85.796358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.796358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.796358 (E_RNA)
where:
Base-Base interactions energy: -44.782
where: short stacking energy: -27.618
Base-Backbone interact. energy: 2.478
local terms energy: -43.492095
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -88.756223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.756223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.756223 (E_RNA)
where:
Base-Base interactions energy: -41.603
where: short stacking energy: -39.141
Base-Backbone interact. energy: 5.007
local terms energy: -52.160781
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -8.322
flat angles P-C4'-P energy: -11.288
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: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -73.515550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.515550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.515550 (E_RNA)
where:
Base-Base interactions energy: -28.667
where: short stacking energy: -24.628
Base-Backbone interact. energy: -0.609
local terms energy: -44.239750
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: 4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -224.511041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.511041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.511041 (E_RNA)
where:
Base-Base interactions energy: -156.621
where: short stacking energy: -58.496
Base-Backbone interact. energy: -0.087
local terms energy: -67.802420
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -16.679
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: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -221.216684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.216684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.216684 (E_RNA)
where:
Base-Base interactions energy: -150.052
where: short stacking energy: -59.663
Base-Backbone interact. energy: 1.768
local terms energy: -72.932046
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -12.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -211.482149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.482149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.482149 (E_RNA)
where:
Base-Base interactions energy: -150.650
where: short stacking energy: -44.707
Base-Backbone interact. energy: 0.516
local terms energy: -61.348318
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -7.845
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -18.869
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: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -199.799555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.799555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.799555 (E_RNA)
where:
Base-Base interactions energy: -130.681
where: short stacking energy: -60.038
Base-Backbone interact. energy: -0.025
local terms energy: -69.094342
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -17.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -206.161349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.161349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.161349 (E_RNA)
where:
Base-Base interactions energy: -147.739
where: short stacking energy: -52.201
Base-Backbone interact. energy: -0.052
local terms energy: -58.369986
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -6.625
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -174.336551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.336551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.336551 (E_RNA)
where:
Base-Base interactions energy: -112.906
where: short stacking energy: -45.834
Base-Backbone interact. energy: -0.205
local terms energy: -61.225366
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -100.747527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.747527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.747527 (E_RNA)
where:
Base-Base interactions energy: -47.062
where: short stacking energy: -32.256
Base-Backbone interact. energy: -0.559
local terms energy: -53.126448
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -103.354482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.354482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.354482 (E_RNA)
where:
Base-Base interactions energy: -51.645
where: short stacking energy: -33.648
Base-Backbone interact. energy: 0.727
local terms energy: -52.436939
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -75.345395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.345395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.345395 (E_RNA)
where:
Base-Base interactions energy: -29.636
where: short stacking energy: -26.723
Base-Backbone interact. energy: -0.029
local terms energy: -45.680882
where:
bonds (distance) C4'-P energy: -8.308
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -82.988827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.988827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.988827 (E_RNA)
where:
Base-Base interactions energy: -37.196
where: short stacking energy: -18.986
Base-Backbone interact. energy: -0.570
local terms energy: -45.221885
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: 1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -219.040542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.040542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.040542 (E_RNA)
where:
Base-Base interactions energy: -149.127
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.325
local terms energy: -69.588662
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -221.548064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.548064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.548064 (E_RNA)
where:
Base-Base interactions energy: -148.816
where: short stacking energy: -58.902
Base-Backbone interact. energy: -0.135
local terms energy: -72.597350
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -206.283662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.283662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.283662 (E_RNA)
where:
Base-Base interactions energy: -139.658
where: short stacking energy: -50.787
Base-Backbone interact. energy: 0.118
local terms energy: -66.743682
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -221.922469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.922469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.922469 (E_RNA)
where:
Base-Base interactions energy: -149.363
where: short stacking energy: -59.732
Base-Backbone interact. energy: -0.107
local terms energy: -72.452427
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -188.521664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.521664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.521664 (E_RNA)
where:
Base-Base interactions energy: -118.021
where: short stacking energy: -55.236
Base-Backbone interact. energy: 0.284
local terms energy: -70.785005
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -14.420
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: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -197.816263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.816263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.816263 (E_RNA)
where:
Base-Base interactions energy: -131.249
where: short stacking energy: -58.652
Base-Backbone interact. energy: -0.063
local terms energy: -66.504441
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -101.605679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.605679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.605679 (E_RNA)
where:
Base-Base interactions energy: -49.218
where: short stacking energy: -22.308
Base-Backbone interact. energy: -0.101
local terms energy: -52.286412
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -104.604981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.604981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.604981 (E_RNA)
where:
Base-Base interactions energy: -42.983
where: short stacking energy: -38.006
Base-Backbone interact. energy: -0.017
local terms energy: -61.604281
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -8.995
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: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -102.375157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.375157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.375157 (E_RNA)
where:
Base-Base interactions energy: -60.060
where: short stacking energy: -22.620
Base-Backbone interact. energy: 4.177
local terms energy: -46.492614
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -10.608
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: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -82.031199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.031199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.031199 (E_RNA)
where:
Base-Base interactions energy: -33.541
where: short stacking energy: -30.927
Base-Backbone interact. energy: -0.223
local terms energy: -48.266976
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -226.345237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.345237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.345237 (E_RNA)
where:
Base-Base interactions energy: -156.035
where: short stacking energy: -67.912
Base-Backbone interact. energy: -0.006
local terms energy: -70.303682
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -221.523179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.523179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.523179 (E_RNA)
where:
Base-Base interactions energy: -146.883
where: short stacking energy: -61.981
Base-Backbone interact. energy: -0.088
local terms energy: -74.553060
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -208.857980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.857980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.857980 (E_RNA)
where:
Base-Base interactions energy: -130.029
where: short stacking energy: -56.667
Base-Backbone interact. energy: -1.436
local terms energy: -77.393329
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -207.880313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.880313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.880313 (E_RNA)
where:
Base-Base interactions energy: -133.960
where: short stacking energy: -50.395
Base-Backbone interact. energy: -0.184
local terms energy: -73.736932
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -203.605300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.605300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.605300 (E_RNA)
where:
Base-Base interactions energy: -128.585
where: short stacking energy: -62.995
Base-Backbone interact. energy: -0.035
local terms energy: -74.984939
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -19.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -181.702192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.702192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.702192 (E_RNA)
where:
Base-Base interactions energy: -118.092
where: short stacking energy: -44.173
Base-Backbone interact. energy: -0.115
local terms energy: -63.494977
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -8.550
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: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -93.552171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.552171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.552171 (E_RNA)
where:
Base-Base interactions energy: -37.355
where: short stacking energy: -27.521
Base-Backbone interact. energy: -0.085
local terms energy: -56.111868
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -93.868036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.868036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.868036 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -31.268
Base-Backbone interact. energy: -0.747
local terms energy: -53.452131
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -8.088
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -88.983981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.983981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.983981 (E_RNA)
where:
Base-Base interactions energy: -38.033
where: short stacking energy: -35.566
Base-Backbone interact. energy: -0.099
local terms energy: -50.852615
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -5.599
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: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -85.875722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.875722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.875722 (E_RNA)
where:
Base-Base interactions energy: -30.564
where: short stacking energy: -25.860
Base-Backbone interact. energy: -0.159
local terms energy: -55.152662
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -11.330
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: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -223.780826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.780826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.780826 (E_RNA)
where:
Base-Base interactions energy: -144.608
where: short stacking energy: -69.841
Base-Backbone interact. energy: -0.071
local terms energy: -79.101758
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -213.434374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.434374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.434374 (E_RNA)
where:
Base-Base interactions energy: -145.124
where: short stacking energy: -66.897
Base-Backbone interact. energy: 0.124
local terms energy: -68.434561
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -18.003
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: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -213.187756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.187756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.187756 (E_RNA)
where:
Base-Base interactions energy: -143.654
where: short stacking energy: -55.510
Base-Backbone interact. energy: -0.098
local terms energy: -69.435860
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -15.104
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: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -200.039190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.039190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.039190 (E_RNA)
where:
Base-Base interactions energy: -129.760
where: short stacking energy: -52.770
Base-Backbone interact. energy: -0.011
local terms energy: -70.267949
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -200.719903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.719903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.719903 (E_RNA)
where:
Base-Base interactions energy: -135.742
where: short stacking energy: -64.123
Base-Backbone interact. energy: -0.338
local terms energy: -64.640419
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -20.874
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: 374
Temperature: 1.150000
Total energy: -198.841267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.841267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.841267 (E_RNA)
where:
Base-Base interactions energy: -138.349
where: short stacking energy: -46.614
Base-Backbone interact. energy: -0.013
local terms energy: -60.478744
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -13.143
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: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -90.915659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.915659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.915659 (E_RNA)
where:
Base-Base interactions energy: -43.398
where: short stacking energy: -22.374
Base-Backbone interact. energy: -0.818
local terms energy: -46.699686
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -97.537724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.537724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.537724 (E_RNA)
where:
Base-Base interactions energy: -55.905
where: short stacking energy: -28.658
Base-Backbone interact. energy: 0.368
local terms energy: -42.000451
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: 1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -77.432004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.432004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.432004 (E_RNA)
where:
Base-Base interactions energy: -39.706
where: short stacking energy: -32.624
Base-Backbone interact. energy: 0.419
local terms energy: -38.144631
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -4.593
flat angles P-C4'-P energy: -1.179
tors. eta vs tors. theta energy: -6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -77.813058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.813058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.813058 (E_RNA)
where:
Base-Base interactions energy: -32.374
where: short stacking energy: -28.372
Base-Backbone interact. energy: -0.052
local terms energy: -45.387965
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -5.268
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -226.418325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.418325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.418325 (E_RNA)
where:
Base-Base interactions energy: -152.563
where: short stacking energy: -71.553
Base-Backbone interact. energy: -0.186
local terms energy: -73.669630
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -216.112785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.112785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.112785 (E_RNA)
where:
Base-Base interactions energy: -145.258
where: short stacking energy: -60.454
Base-Backbone interact. energy: -1.107
local terms energy: -69.747505
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -211.628220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.628220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.628220 (E_RNA)
where:
Base-Base interactions energy: -137.074
where: short stacking energy: -66.253
Base-Backbone interact. energy: -0.000
local terms energy: -74.553383
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -205.223547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.223547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.223547 (E_RNA)
where:
Base-Base interactions energy: -135.732
where: short stacking energy: -62.294
Base-Backbone interact. energy: -0.001
local terms energy: -69.490459
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -19.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -208.986129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.986129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.986129 (E_RNA)
where:
Base-Base interactions energy: -136.147
where: short stacking energy: -61.008
Base-Backbone interact. energy: -0.027
local terms energy: -72.812221
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -18.103
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: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -201.041845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.041845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.041845 (E_RNA)
where:
Base-Base interactions energy: -138.582
where: short stacking energy: -47.981
Base-Backbone interact. energy: -0.037
local terms energy: -62.422973
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -14.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -100.979211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.979211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.979211 (E_RNA)
where:
Base-Base interactions energy: -43.687
where: short stacking energy: -36.231
Base-Backbone interact. energy: -0.906
local terms energy: -56.385353
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -89.709204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.709204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.709204 (E_RNA)
where:
Base-Base interactions energy: -37.619
where: short stacking energy: -24.667
Base-Backbone interact. energy: -0.881
local terms energy: -51.209649
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -91.770530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.770530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.770530 (E_RNA)
where:
Base-Base interactions energy: -33.963
where: short stacking energy: -30.337
Base-Backbone interact. energy: -0.258
local terms energy: -57.549385
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -78.528080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.528080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.528080 (E_RNA)
where:
Base-Base interactions energy: -29.206
where: short stacking energy: -23.469
Base-Backbone interact. energy: -0.466
local terms energy: -48.855205
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: 2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -222.389809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.389809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.389809 (E_RNA)
where:
Base-Base interactions energy: -148.426
where: short stacking energy: -73.857
Base-Backbone interact. energy: -0.631
local terms energy: -73.332803
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -206.971536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.971536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.971536 (E_RNA)
where:
Base-Base interactions energy: -140.702
where: short stacking energy: -64.920
Base-Backbone interact. energy: -0.120
local terms energy: -66.150234
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -211.723616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.723616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.723616 (E_RNA)
where:
Base-Base interactions energy: -137.563
where: short stacking energy: -62.478
Base-Backbone interact. energy: -0.023
local terms energy: -74.138047
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -209.778066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.778066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.778066 (E_RNA)
where:
Base-Base interactions energy: -134.747
where: short stacking energy: -63.283
Base-Backbone interact. energy: -0.420
local terms energy: -74.610962
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -18.138
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: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -199.765162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.765162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.765162 (E_RNA)
where:
Base-Base interactions energy: -127.488
where: short stacking energy: -64.555
Base-Backbone interact. energy: -0.298
local terms energy: -71.979581
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -18.957
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: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -176.494995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.494995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.494995 (E_RNA)
where:
Base-Base interactions energy: -107.266
where: short stacking energy: -49.505
Base-Backbone interact. energy: -0.021
local terms energy: -69.207374
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -92.832061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.832061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.832061 (E_RNA)
where:
Base-Base interactions energy: -39.181
where: short stacking energy: -31.762
Base-Backbone interact. energy: -0.148
local terms energy: -53.502258
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -89.171013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.171013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.171013 (E_RNA)
where:
Base-Base interactions energy: -34.496
where: short stacking energy: -33.672
Base-Backbone interact. energy: -0.081
local terms energy: -54.593683
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -85.406916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.406916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.406916 (E_RNA)
where:
Base-Base interactions energy: -33.914
where: short stacking energy: -29.586
Base-Backbone interact. energy: -0.036
local terms energy: -51.457331
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -6.747
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: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -75.747027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.747027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.747027 (E_RNA)
where:
Base-Base interactions energy: -31.848
where: short stacking energy: -20.473
Base-Backbone interact. energy: -0.137
local terms energy: -43.761778
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -229.901501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.901501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.901501 (E_RNA)
where:
Base-Base interactions energy: -146.442
where: short stacking energy: -68.471
Base-Backbone interact. energy: -0.538
local terms energy: -82.921232
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -214.138752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.138752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.138752 (E_RNA)
where:
Base-Base interactions energy: -142.555
where: short stacking energy: -57.584
Base-Backbone interact. energy: -0.072
local terms energy: -71.511814
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -209.395968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.395968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.395968 (E_RNA)
where:
Base-Base interactions energy: -135.061
where: short stacking energy: -56.881
Base-Backbone interact. energy: 0.234
local terms energy: -74.568904
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -211.846206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.846206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.846206 (E_RNA)
where:
Base-Base interactions energy: -137.007
where: short stacking energy: -67.283
Base-Backbone interact. energy: -0.100
local terms energy: -74.739239
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -192.162832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.162832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.162832 (E_RNA)
where:
Base-Base interactions energy: -126.564
where: short stacking energy: -54.097
Base-Backbone interact. energy: -0.012
local terms energy: -65.586456
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -184.139469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.139469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.139469 (E_RNA)
where:
Base-Base interactions energy: -126.698
where: short stacking energy: -43.162
Base-Backbone interact. energy: -0.105
local terms energy: -57.335933
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -8.098
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: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -84.002404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.002404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.002404 (E_RNA)
where:
Base-Base interactions energy: -38.926
where: short stacking energy: -28.694
Base-Backbone interact. energy: -0.391
local terms energy: -44.685803
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: 0.929
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: 377
Temperature: 1.250000
Total energy: -83.788350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.788350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.788350 (E_RNA)
where:
Base-Base interactions energy: -30.635
where: short stacking energy: -28.674
Base-Backbone interact. energy: 1.509
local terms energy: -54.662216
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -76.277342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.277342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.277342 (E_RNA)
where:
Base-Base interactions energy: -37.750
where: short stacking energy: -26.009
Base-Backbone interact. energy: 0.945
local terms energy: -39.472442
where:
bonds (distance) C4'-P energy: -7.144
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: 1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -72.038301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.038301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.038301 (E_RNA)
where:
Base-Base interactions energy: -27.241
where: short stacking energy: -24.135
Base-Backbone interact. energy: -0.367
local terms energy: -44.430077
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -221.744298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.744298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.744298 (E_RNA)
where:
Base-Base interactions energy: -148.359
where: short stacking energy: -60.584
Base-Backbone interact. energy: -0.584
local terms energy: -72.801866
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -222.521477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.521477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.521477 (E_RNA)
where:
Base-Base interactions energy: -144.426
where: short stacking energy: -65.389
Base-Backbone interact. energy: -0.009
local terms energy: -78.087248
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -218.567448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.567448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.567448 (E_RNA)
where:
Base-Base interactions energy: -151.306
where: short stacking energy: -61.704
Base-Backbone interact. energy: -0.145
local terms energy: -67.116703
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -18.562
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: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -214.102317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.102317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.102317 (E_RNA)
where:
Base-Base interactions energy: -138.491
where: short stacking energy: -66.683
Base-Backbone interact. energy: -0.035
local terms energy: -75.576593
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -17.451
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: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -195.837636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.837636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.837636 (E_RNA)
where:
Base-Base interactions energy: -129.973
where: short stacking energy: -52.344
Base-Backbone interact. energy: -1.681
local terms energy: -64.183747
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -188.293279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.293279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.293279 (E_RNA)
where:
Base-Base interactions energy: -121.969
where: short stacking energy: -55.578
Base-Backbone interact. energy: -0.131
local terms energy: -66.194007
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -104.611521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.611521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.611521 (E_RNA)
where:
Base-Base interactions energy: -42.781
where: short stacking energy: -32.815
Base-Backbone interact. energy: -1.610
local terms energy: -60.220785
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -12.128
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: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -76.013391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.013391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.013391 (E_RNA)
where:
Base-Base interactions energy: -30.540
where: short stacking energy: -30.540
Base-Backbone interact. energy: -0.191
local terms energy: -45.282372
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: 1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -94.916844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.916844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.916844 (E_RNA)
where:
Base-Base interactions energy: -44.389
where: short stacking energy: -27.300
Base-Backbone interact. energy: -0.204
local terms energy: -50.323620
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -80.291304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.291304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.291304 (E_RNA)
where:
Base-Base interactions energy: -40.262
where: short stacking energy: -23.786
Base-Backbone interact. energy: -0.764
local terms energy: -39.264829
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -3.953
tors. eta vs tors. theta energy: -0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -225.418576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.418576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.418576 (E_RNA)
where:
Base-Base interactions energy: -148.550
where: short stacking energy: -60.059
Base-Backbone interact. energy: -0.055
local terms energy: -76.813644
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -19.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -220.722272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.722272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.722272 (E_RNA)
where:
Base-Base interactions energy: -145.952
where: short stacking energy: -68.585
Base-Backbone interact. energy: -0.104
local terms energy: -74.666411
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -21.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -217.842569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.842569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.842569 (E_RNA)
where:
Base-Base interactions energy: -143.043
where: short stacking energy: -60.945
Base-Backbone interact. energy: -0.028
local terms energy: -74.771595
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -17.968
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: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -203.954814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.954814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.954814 (E_RNA)
where:
Base-Base interactions energy: -132.413
where: short stacking energy: -44.526
Base-Backbone interact. energy: -0.016
local terms energy: -71.526153
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -10.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -200.697827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.697827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.697827 (E_RNA)
where:
Base-Base interactions energy: -142.257
where: short stacking energy: -65.191
Base-Backbone interact. energy: -0.158
local terms energy: -58.282966
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -8.696
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -187.706834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.706834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.706834 (E_RNA)
where:
Base-Base interactions energy: -126.647
where: short stacking energy: -49.116
Base-Backbone interact. energy: -0.001
local terms energy: -61.058719
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -87.432364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.432364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.432364 (E_RNA)
where:
Base-Base interactions energy: -38.762
where: short stacking energy: -26.258
Base-Backbone interact. energy: -0.138
local terms energy: -48.532410
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -8.173
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: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -83.861147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.861147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.861147 (E_RNA)
where:
Base-Base interactions energy: -32.682
where: short stacking energy: -30.945
Base-Backbone interact. energy: -0.050
local terms energy: -51.129511
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -10.090
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: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -73.008446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.008446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.008446 (E_RNA)
where:
Base-Base interactions energy: -25.174
where: short stacking energy: -24.820
Base-Backbone interact. energy: -0.305
local terms energy: -47.529986
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -71.644291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.644291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.644291 (E_RNA)
where:
Base-Base interactions energy: -19.009
where: short stacking energy: -15.953
Base-Backbone interact. energy: -0.090
local terms energy: -52.545048
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -2.678
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: 380
Temperature: 0.900000
Total energy: -222.991220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.991220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.991220 (E_RNA)
where:
Base-Base interactions energy: -140.578
where: short stacking energy: -54.105
Base-Backbone interact. energy: -0.013
local terms energy: -82.399942
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -218.871705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.871705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.871705 (E_RNA)
where:
Base-Base interactions energy: -145.660
where: short stacking energy: -64.186
Base-Backbone interact. energy: -0.037
local terms energy: -73.174211
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -206.205632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.205632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.205632 (E_RNA)
where:
Base-Base interactions energy: -130.534
where: short stacking energy: -47.786
Base-Backbone interact. energy: -1.229
local terms energy: -74.442464
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -201.905736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.905736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.905736 (E_RNA)
where:
Base-Base interactions energy: -140.962
where: short stacking energy: -58.491
Base-Backbone interact. energy: -0.824
local terms energy: -60.120115
where:
bonds (distance) C4'-P energy: -8.368
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -10.183
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: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -193.049955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.049955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.049955 (E_RNA)
where:
Base-Base interactions energy: -123.305
where: short stacking energy: -52.557
Base-Backbone interact. energy: -1.378
local terms energy: -68.367059
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -173.556426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.556426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.556426 (E_RNA)
where:
Base-Base interactions energy: -110.016
where: short stacking energy: -55.062
Base-Backbone interact. energy: -0.403
local terms energy: -63.137346
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -8.581
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: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -88.681027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.681027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.681027 (E_RNA)
where:
Base-Base interactions energy: -38.082
where: short stacking energy: -38.082
Base-Backbone interact. energy: -0.076
local terms energy: -50.522122
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -9.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -80.726744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.726744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.726744 (E_RNA)
where:
Base-Base interactions energy: -31.479
where: short stacking energy: -19.769
Base-Backbone interact. energy: 0.680
local terms energy: -49.927880
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -2.134
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -78.687599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.687599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.687599 (E_RNA)
where:
Base-Base interactions energy: -32.326
where: short stacking energy: -29.334
Base-Backbone interact. energy: -0.106
local terms energy: -46.255281
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -6.046
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: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -80.348815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.348815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.348815 (E_RNA)
where:
Base-Base interactions energy: -30.824
where: short stacking energy: -30.714
Base-Backbone interact. energy: -0.298
local terms energy: -49.226247
where:
bonds (distance) C4'-P energy: -7.997
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -218.682694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.682694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.682694 (E_RNA)
where:
Base-Base interactions energy: -143.553
where: short stacking energy: -68.931
Base-Backbone interact. energy: -0.036
local terms energy: -75.094152
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -21.958
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: 381
Temperature: 0.950000
Total energy: -222.502104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.502104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.502104 (E_RNA)
where:
Base-Base interactions energy: -141.982
where: short stacking energy: -58.703
Base-Backbone interact. energy: -0.755
local terms energy: -79.764875
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -205.192468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.192468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.192468 (E_RNA)
where:
Base-Base interactions energy: -135.165
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.484
local terms energy: -69.543081
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -14.516
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: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -205.284103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.284103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.284103 (E_RNA)
where:
Base-Base interactions energy: -134.856
where: short stacking energy: -51.164
Base-Backbone interact. energy: -0.924
local terms energy: -69.503810
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -190.121070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.121070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.121070 (E_RNA)
where:
Base-Base interactions energy: -121.878
where: short stacking energy: -58.177
Base-Backbone interact. energy: -0.032
local terms energy: -68.211149
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -167.206477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.206477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.206477 (E_RNA)
where:
Base-Base interactions energy: -110.118
where: short stacking energy: -42.652
Base-Backbone interact. energy: -0.925
local terms energy: -56.163942
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -84.876239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.876239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.876239 (E_RNA)
where:
Base-Base interactions energy: -32.709
where: short stacking energy: -32.709
Base-Backbone interact. energy: -0.240
local terms energy: -51.927542
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -87.388018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.388018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.388018 (E_RNA)
where:
Base-Base interactions energy: -33.528
where: short stacking energy: -33.528
Base-Backbone interact. energy: -0.138
local terms energy: -53.722195
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -7.093
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: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -78.572467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.572467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.572467 (E_RNA)
where:
Base-Base interactions energy: -27.247
where: short stacking energy: -27.247
Base-Backbone interact. energy: -0.249
local terms energy: -51.077074
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -83.689466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.689466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.689466 (E_RNA)
where:
Base-Base interactions energy: -30.325
where: short stacking energy: -16.586
Base-Backbone interact. energy: -0.034
local terms energy: -53.330311
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -225.390157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.390157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.390157 (E_RNA)
where:
Base-Base interactions energy: -155.239
where: short stacking energy: -55.952
Base-Backbone interact. energy: -0.640
local terms energy: -69.511418
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -17.204
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: 382
Temperature: 0.950000
Total energy: -221.291370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.291370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.291370 (E_RNA)
where:
Base-Base interactions energy: -145.879
where: short stacking energy: -59.458
Base-Backbone interact. energy: -0.581
local terms energy: -74.831468
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -212.816932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.816932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.816932 (E_RNA)
where:
Base-Base interactions energy: -138.164
where: short stacking energy: -70.129
Base-Backbone interact. energy: -0.894
local terms energy: -73.759280
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -23.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -199.689012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.689012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.689012 (E_RNA)
where:
Base-Base interactions energy: -138.054
where: short stacking energy: -58.768
Base-Backbone interact. energy: 1.306
local terms energy: -62.941394
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -200.102096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.102096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.102096 (E_RNA)
where:
Base-Base interactions energy: -128.095
where: short stacking energy: -63.950
Base-Backbone interact. energy: -0.033
local terms energy: -71.974174
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -19.159
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: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -148.342919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.342919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.342919 (E_RNA)
where:
Base-Base interactions energy: -83.616
where: short stacking energy: -46.018
Base-Backbone interact. energy: -0.466
local terms energy: -64.261041
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -9.252
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: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -84.011921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.011921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.011921 (E_RNA)
where:
Base-Base interactions energy: -30.827
where: short stacking energy: -22.567
Base-Backbone interact. energy: -0.410
local terms energy: -52.774895
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -84.693053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.693053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.693053 (E_RNA)
where:
Base-Base interactions energy: -37.335
where: short stacking energy: -27.938
Base-Backbone interact. energy: -0.304
local terms energy: -47.053659
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -7.239
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -84.204022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.204022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.204022 (E_RNA)
where:
Base-Base interactions energy: -43.515
where: short stacking energy: -32.577
Base-Backbone interact. energy: -0.159
local terms energy: -40.530150
where:
bonds (distance) C4'-P energy: -5.380
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -3.427
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -73.801360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.801360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.801360 (E_RNA)
where:
Base-Base interactions energy: -28.999
where: short stacking energy: -26.092
Base-Backbone interact. energy: -0.144
local terms energy: -44.658172
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -223.082965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.082965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.082965 (E_RNA)
where:
Base-Base interactions energy: -142.886
where: short stacking energy: -63.602
Base-Backbone interact. energy: -0.016
local terms energy: -80.181357
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -22.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -210.890308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.890308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.890308 (E_RNA)
where:
Base-Base interactions energy: -135.032
where: short stacking energy: -64.254
Base-Backbone interact. energy: -0.309
local terms energy: -75.549086
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -215.819421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.819421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.819421 (E_RNA)
where:
Base-Base interactions energy: -147.695
where: short stacking energy: -68.205
Base-Backbone interact. energy: -0.105
local terms energy: -68.019361
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -18.166
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: 4, replica: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -210.562068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.562068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.562068 (E_RNA)
where:
Base-Base interactions energy: -145.383
where: short stacking energy: -55.247
Base-Backbone interact. energy: 0.804
local terms energy: -65.982570
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -10.061
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -20.166
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: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -216.241075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.241075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.241075 (E_RNA)
where:
Base-Base interactions energy: -142.847
where: short stacking energy: -64.333
Base-Backbone interact. energy: 0.000
local terms energy: -73.394138
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -13.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -156.192659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.192659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.192659 (E_RNA)
where:
Base-Base interactions energy: -92.882
where: short stacking energy: -47.022
Base-Backbone interact. energy: -0.293
local terms energy: -63.017601
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -11.237
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: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -89.471196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.471196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.471196 (E_RNA)
where:
Base-Base interactions energy: -43.718
where: short stacking energy: -28.498
Base-Backbone interact. energy: -0.222
local terms energy: -45.530776
where:
bonds (distance) C4'-P energy: -8.901
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -82.184758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.184758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.184758 (E_RNA)
where:
Base-Base interactions energy: -26.920
where: short stacking energy: -26.920
Base-Backbone interact. energy: -0.242
local terms energy: -55.022511
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -6.229
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: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -72.859422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.859422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.859422 (E_RNA)
where:
Base-Base interactions energy: -24.612
where: short stacking energy: -21.830
Base-Backbone interact. energy: -0.139
local terms energy: -48.108050
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -70.366277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.366277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.366277 (E_RNA)
where:
Base-Base interactions energy: -18.909
where: short stacking energy: -18.869
Base-Backbone interact. energy: -0.124
local terms energy: -51.333224
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -228.578329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.578329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.578329 (E_RNA)
where:
Base-Base interactions energy: -144.708
where: short stacking energy: -69.576
Base-Backbone interact. energy: -0.013
local terms energy: -83.857021
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -216.118569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.118569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.118569 (E_RNA)
where:
Base-Base interactions energy: -146.359
where: short stacking energy: -60.662
Base-Backbone interact. energy: -0.160
local terms energy: -69.599489
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -18.054
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: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -211.619444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.619444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.619444 (E_RNA)
where:
Base-Base interactions energy: -135.662
where: short stacking energy: -60.320
Base-Backbone interact. energy: -0.347
local terms energy: -75.609888
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -211.218751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.218751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.218751 (E_RNA)
where:
Base-Base interactions energy: -138.223
where: short stacking energy: -61.045
Base-Backbone interact. energy: -0.049
local terms energy: -72.946882
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -18.000
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: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -200.065715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.065715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.065715 (E_RNA)
where:
Base-Base interactions energy: -123.407
where: short stacking energy: -57.111
Base-Backbone interact. energy: -0.123
local terms energy: -76.534979
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -19.220
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: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -161.104458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.104458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.104458 (E_RNA)
where:
Base-Base interactions energy: -97.182
where: short stacking energy: -55.171
Base-Backbone interact. energy: -0.001
local terms energy: -63.921546
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -87.111271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.111271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.111271 (E_RNA)
where:
Base-Base interactions energy: -34.067
where: short stacking energy: -17.813
Base-Backbone interact. energy: -0.471
local terms energy: -52.572757
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -84.971094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.971094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.971094 (E_RNA)
where:
Base-Base interactions energy: -30.775
where: short stacking energy: -24.650
Base-Backbone interact. energy: -0.179
local terms energy: -54.016278
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -11.362
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: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -72.404594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.404594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.404594 (E_RNA)
where:
Base-Base interactions energy: -24.232
where: short stacking energy: -24.232
Base-Backbone interact. energy: -0.094
local terms energy: -48.078222
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: 3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -75.343798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.343798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.343798 (E_RNA)
where:
Base-Base interactions energy: -23.752
where: short stacking energy: -20.637
Base-Backbone interact. energy: -0.093
local terms energy: -51.498597
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -230.992012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.992012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.992012 (E_RNA)
where:
Base-Base interactions energy: -148.930
where: short stacking energy: -67.909
Base-Backbone interact. energy: -1.239
local terms energy: -80.822703
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -21.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -223.445123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.445123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.445123 (E_RNA)
where:
Base-Base interactions energy: -153.679
where: short stacking energy: -60.393
Base-Backbone interact. energy: -1.187
local terms energy: -68.578840
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -204.754557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.754557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.754557 (E_RNA)
where:
Base-Base interactions energy: -131.764
where: short stacking energy: -59.711
Base-Backbone interact. energy: -0.591
local terms energy: -72.398691
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -216.202932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.202932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.202932 (E_RNA)
where:
Base-Base interactions energy: -135.887
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.987
local terms energy: -79.329167
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -20.794
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: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -207.272995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.272995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.272995 (E_RNA)
where:
Base-Base interactions energy: -143.143
where: short stacking energy: -60.904
Base-Backbone interact. energy: 2.092
local terms energy: -66.222247
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -110.601743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.601743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.601743 (E_RNA)
where:
Base-Base interactions energy: -47.035
where: short stacking energy: -47.035
Base-Backbone interact. energy: -0.427
local terms energy: -63.140103
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -11.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -146.462481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.462481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.462481 (E_RNA)
where:
Base-Base interactions energy: -82.280
where: short stacking energy: -42.621
Base-Backbone interact. energy: -0.069
local terms energy: -64.112930
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -14.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -99.245447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.245447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.245447 (E_RNA)
where:
Base-Base interactions energy: -33.404
where: short stacking energy: -33.404
Base-Backbone interact. energy: -0.000
local terms energy: -65.841730
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -109.022189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.022189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.022189 (E_RNA)
where:
Base-Base interactions energy: -60.654
where: short stacking energy: -29.897
Base-Backbone interact. energy: -0.349
local terms energy: -48.019608
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -2.045
tors. eta vs tors. theta energy: -0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -87.865363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.865363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.865363 (E_RNA)
where:
Base-Base interactions energy: -33.469
where: short stacking energy: -28.069
Base-Backbone interact. energy: -0.006
local terms energy: -54.390318
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -8.008
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: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -228.736458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.736458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.736458 (E_RNA)
where:
Base-Base interactions energy: -146.482
where: short stacking energy: -61.877
Base-Backbone interact. energy: -0.834
local terms energy: -81.419652
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -215.931712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.931712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.931712 (E_RNA)
where:
Base-Base interactions energy: -146.631
where: short stacking energy: -59.897
Base-Backbone interact. energy: -0.005
local terms energy: -69.295998
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -210.465537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.465537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.465537 (E_RNA)
where:
Base-Base interactions energy: -134.880
where: short stacking energy: -65.601
Base-Backbone interact. energy: -0.030
local terms energy: -75.555897
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -21.482
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: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -221.478250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.478250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.478250 (E_RNA)
where:
Base-Base interactions energy: -146.454
where: short stacking energy: -64.492
Base-Backbone interact. energy: 0.183
local terms energy: -75.206930
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -22.143
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: 386
Temperature: 1.100000
Total energy: -204.002890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.002890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.002890 (E_RNA)
where:
Base-Base interactions energy: -137.033
where: short stacking energy: -67.389
Base-Backbone interact. energy: -0.100
local terms energy: -66.869965
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -93.314492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.314492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.314492 (E_RNA)
where:
Base-Base interactions energy: -41.763
where: short stacking energy: -41.763
Base-Backbone interact. energy: -0.095
local terms energy: -51.456053
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -165.415568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.415568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.415568 (E_RNA)
where:
Base-Base interactions energy: -97.169
where: short stacking energy: -47.764
Base-Backbone interact. energy: -1.385
local terms energy: -66.862306
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -86.731172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.731172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.731172 (E_RNA)
where:
Base-Base interactions energy: -36.094
where: short stacking energy: -24.901
Base-Backbone interact. energy: -0.147
local terms energy: -50.490188
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -2.035
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: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -79.322739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.322739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.322739 (E_RNA)
where:
Base-Base interactions energy: -28.943
where: short stacking energy: -24.999
Base-Backbone interact. energy: -0.187
local terms energy: -50.192779
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -84.217112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.217112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.217112 (E_RNA)
where:
Base-Base interactions energy: -41.699
where: short stacking energy: -24.710
Base-Backbone interact. energy: -0.471
local terms energy: -42.047428
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: 0.023
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: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -231.236422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.236422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.236422 (E_RNA)
where:
Base-Base interactions energy: -150.997
where: short stacking energy: -68.771
Base-Backbone interact. energy: -0.337
local terms energy: -79.902248
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -20.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -222.297602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.297602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.297602 (E_RNA)
where:
Base-Base interactions energy: -148.748
where: short stacking energy: -64.947
Base-Backbone interact. energy: -0.133
local terms energy: -73.416935
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -14.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -224.485254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.485254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.485254 (E_RNA)
where:
Base-Base interactions energy: -146.101
where: short stacking energy: -66.366
Base-Backbone interact. energy: -0.243
local terms energy: -78.141445
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -22.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -200.663026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.663026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.663026 (E_RNA)
where:
Base-Base interactions energy: -127.156
where: short stacking energy: -52.536
Base-Backbone interact. energy: -0.894
local terms energy: -72.612458
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -213.644766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.644766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.644766 (E_RNA)
where:
Base-Base interactions energy: -140.462
where: short stacking energy: -56.560
Base-Backbone interact. energy: -0.004
local terms energy: -73.178938
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -19.192
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: 387
Temperature: 1.150000
Total energy: -176.509716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.509716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.509716 (E_RNA)
where:
Base-Base interactions energy: -102.200
where: short stacking energy: -56.488
Base-Backbone interact. energy: -0.031
local terms energy: -74.279313
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -18.980
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: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -92.851499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.851499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.851499 (E_RNA)
where:
Base-Base interactions energy: -37.083
where: short stacking energy: -26.546
Base-Backbone interact. energy: 0.296
local terms energy: -56.064158
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -11.175
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -9.945
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: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -80.476707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.476707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.476707 (E_RNA)
where:
Base-Base interactions energy: -41.479
where: short stacking energy: -29.575
Base-Backbone interact. energy: -0.300
local terms energy: -38.697234
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -1.135
tors. eta vs tors. theta energy: -0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -84.056273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.056273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.056273 (E_RNA)
where:
Base-Base interactions energy: -31.434
where: short stacking energy: -25.350
Base-Backbone interact. energy: -0.048
local terms energy: -52.574230
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -3.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -79.033624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.033624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.033624 (E_RNA)
where:
Base-Base interactions energy: -25.153
where: short stacking energy: -22.971
Base-Backbone interact. energy: -0.399
local terms energy: -53.481917
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -234.554648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.554648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.554648 (E_RNA)
where:
Base-Base interactions energy: -152.165
where: short stacking energy: -58.370
Base-Backbone interact. energy: -0.089
local terms energy: -82.300609
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -226.552764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.552764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.552764 (E_RNA)
where:
Base-Base interactions energy: -148.743
where: short stacking energy: -71.972
Base-Backbone interact. energy: -0.608
local terms energy: -77.201345
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -213.595010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.595010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.595010 (E_RNA)
where:
Base-Base interactions energy: -143.627
where: short stacking energy: -60.443
Base-Backbone interact. energy: -0.129
local terms energy: -69.839264
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -195.731803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.731803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.731803 (E_RNA)
where:
Base-Base interactions energy: -128.483
where: short stacking energy: -44.571
Base-Backbone interact. energy: -0.183
local terms energy: -67.066238
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -11.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -206.963181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.963181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.963181 (E_RNA)
where:
Base-Base interactions energy: -138.341
where: short stacking energy: -63.370
Base-Backbone interact. energy: -0.011
local terms energy: -68.610981
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -174.897209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.897209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.897209 (E_RNA)
where:
Base-Base interactions energy: -106.678
where: short stacking energy: -52.732
Base-Backbone interact. energy: -0.002
local terms energy: -68.217258
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -107.110761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.110761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.110761 (E_RNA)
where:
Base-Base interactions energy: -37.581
where: short stacking energy: -35.890
Base-Backbone interact. energy: -0.053
local terms energy: -69.475945
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -90.572186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.572186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.572186 (E_RNA)
where:
Base-Base interactions energy: -39.420
where: short stacking energy: -39.420
Base-Backbone interact. energy: -0.240
local terms energy: -50.912583
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -7.345
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: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -87.853426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.853426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.853426 (E_RNA)
where:
Base-Base interactions energy: -27.811
where: short stacking energy: -28.140
Base-Backbone interact. energy: -0.702
local terms energy: -59.341058
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -8.426
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: 10, replica: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -81.544682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.544682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.544682 (E_RNA)
where:
Base-Base interactions energy: -22.330
where: short stacking energy: -22.630
Base-Backbone interact. energy: -0.030
local terms energy: -59.184335
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -221.995547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.995547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.995547 (E_RNA)
where:
Base-Base interactions energy: -145.800
where: short stacking energy: -62.731
Base-Backbone interact. energy: 0.125
local terms energy: -76.320294
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -220.259517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.259517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.259517 (E_RNA)
where:
Base-Base interactions energy: -140.986
where: short stacking energy: -69.278
Base-Backbone interact. energy: 0.381
local terms energy: -79.655012
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -21.383
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: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -222.873069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.873069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.873069 (E_RNA)
where:
Base-Base interactions energy: -147.141
where: short stacking energy: -63.664
Base-Backbone interact. energy: -0.038
local terms energy: -75.694147
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -206.005364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.005364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.005364 (E_RNA)
where:
Base-Base interactions energy: -129.436
where: short stacking energy: -56.218
Base-Backbone interact. energy: -0.002
local terms energy: -76.567873
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -20.413
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: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -190.145059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.145059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.145059 (E_RNA)
where:
Base-Base interactions energy: -119.195
where: short stacking energy: -53.372
Base-Backbone interact. energy: 0.442
local terms energy: -71.391879
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -176.047554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.047554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.047554 (E_RNA)
where:
Base-Base interactions energy: -124.599
where: short stacking energy: -50.123
Base-Backbone interact. energy: -1.294
local terms energy: -50.154614
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -8.127
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -13.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -86.439428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.439428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.439428 (E_RNA)
where:
Base-Base interactions energy: -33.781
where: short stacking energy: -28.831
Base-Backbone interact. energy: -0.156
local terms energy: -52.502038
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -80.935331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.935331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.935331 (E_RNA)
where:
Base-Base interactions energy: -32.925
where: short stacking energy: -29.771
Base-Backbone interact. energy: -0.048
local terms energy: -47.962665
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -2.598
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: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -78.555430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.555430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.555430 (E_RNA)
where:
Base-Base interactions energy: -29.432
where: short stacking energy: -25.140
Base-Backbone interact. energy: -0.119
local terms energy: -49.004435
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -6.104
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: 10, replica: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -83.112101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.112101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.112101 (E_RNA)
where:
Base-Base interactions energy: -27.841
where: short stacking energy: -27.646
Base-Backbone interact. energy: 1.977
local terms energy: -57.247246
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -223.535241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.535241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.535241 (E_RNA)
where:
Base-Base interactions energy: -145.810
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.042
local terms energy: -77.683199
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -228.765748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.765748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.765748 (E_RNA)
where:
Base-Base interactions energy: -149.708
where: short stacking energy: -61.686
Base-Backbone interact. energy: -0.346
local terms energy: -78.711508
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -221.974144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.974144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.974144 (E_RNA)
where:
Base-Base interactions energy: -150.068
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.404
local terms energy: -71.502252
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -18.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -179.983389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.983389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.983389 (E_RNA)
where:
Base-Base interactions energy: -122.585
where: short stacking energy: -42.047
Base-Backbone interact. energy: 0.560
local terms energy: -57.958232
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -9.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -183.366147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.366147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.366147 (E_RNA)
where:
Base-Base interactions energy: -119.100
where: short stacking energy: -51.992
Base-Backbone interact. energy: -0.150
local terms energy: -64.115245
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -13.803
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: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -159.527870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.527870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.527870 (E_RNA)
where:
Base-Base interactions energy: -104.919
where: short stacking energy: -42.537
Base-Backbone interact. energy: -0.386
local terms energy: -54.223619
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -10.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -76.351595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.351595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.351595 (E_RNA)
where:
Base-Base interactions energy: -33.015
where: short stacking energy: -25.535
Base-Backbone interact. energy: -0.325
local terms energy: -43.011280
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -7.386
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -88.786114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.786114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.786114 (E_RNA)
where:
Base-Base interactions energy: -39.181
where: short stacking energy: -35.554
Base-Backbone interact. energy: 0.574
local terms energy: -50.179557
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -0.963
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: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -82.036179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.036179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.036179 (E_RNA)
where:
Base-Base interactions energy: -36.573
where: short stacking energy: -32.146
Base-Backbone interact. energy: 0.210
local terms energy: -45.672539
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -78.406896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.406896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.406896 (E_RNA)
where:
Base-Base interactions energy: -25.176
where: short stacking energy: -25.176
Base-Backbone interact. energy: -0.003
local terms energy: -53.227190
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -8.139
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: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -221.715028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.715028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.715028 (E_RNA)
where:
Base-Base interactions energy: -146.817
where: short stacking energy: -56.147
Base-Backbone interact. energy: -0.150
local terms energy: -74.748824
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -227.449208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.449208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.449208 (E_RNA)
where:
Base-Base interactions energy: -170.168
where: short stacking energy: -58.530
Base-Backbone interact. energy: -0.108
local terms energy: -57.172447
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -218.935223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.935223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.935223 (E_RNA)
where:
Base-Base interactions energy: -142.704
where: short stacking energy: -60.195
Base-Backbone interact. energy: -0.154
local terms energy: -76.077452
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -198.694383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.694383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.694383 (E_RNA)
where:
Base-Base interactions energy: -136.666
where: short stacking energy: -58.410
Base-Backbone interact. energy: -0.026
local terms energy: -62.002093
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -205.856514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.856514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.856514 (E_RNA)
where:
Base-Base interactions energy: -133.780
where: short stacking energy: -58.760
Base-Backbone interact. energy: -0.069
local terms energy: -72.007731
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -160.963422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.963422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.963422 (E_RNA)
where:
Base-Base interactions energy: -96.725
where: short stacking energy: -51.302
Base-Backbone interact. energy: -0.283
local terms energy: -63.954816
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -11.782
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: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -96.023050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.023050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.023050 (E_RNA)
where:
Base-Base interactions energy: -49.664
where: short stacking energy: -25.480
Base-Backbone interact. energy: -0.436
local terms energy: -45.922098
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: 0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -72.151131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.151131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.151131 (E_RNA)
where:
Base-Base interactions energy: -19.980
where: short stacking energy: -21.180
Base-Backbone interact. energy: -0.234
local terms energy: -51.937026
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: 1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -82.568930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.568930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.568930 (E_RNA)
where:
Base-Base interactions energy: -34.507
where: short stacking energy: -28.631
Base-Backbone interact. energy: -0.177
local terms energy: -47.885875
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -2.132
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -79.156015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.156015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.156015 (E_RNA)
where:
Base-Base interactions energy: -19.067
where: short stacking energy: -18.116
Base-Backbone interact. energy: -0.164
local terms energy: -59.925224
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -9.333
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: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -221.141822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.141822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.141822 (E_RNA)
where:
Base-Base interactions energy: -162.601
where: short stacking energy: -49.057
Base-Backbone interact. energy: -0.364
local terms energy: -58.177225
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -10.075
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: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -205.219637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.219637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.219637 (E_RNA)
where:
Base-Base interactions energy: -141.637
where: short stacking energy: -51.495
Base-Backbone interact. energy: -0.361
local terms energy: -63.221427
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -10.840
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: 392
Temperature: 1.000000
Total energy: -211.499589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.499589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.499589 (E_RNA)
where:
Base-Base interactions energy: -143.208
where: short stacking energy: -58.137
Base-Backbone interact. energy: -0.122
local terms energy: -68.169114
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -191.555618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.555618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.555618 (E_RNA)
where:
Base-Base interactions energy: -118.611
where: short stacking energy: -47.743
Base-Backbone interact. energy: 1.174
local terms energy: -74.118292
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -11.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -209.047618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.047618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.047618 (E_RNA)
where:
Base-Base interactions energy: -141.029
where: short stacking energy: -52.906
Base-Backbone interact. energy: -0.071
local terms energy: -67.947806
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -149.247673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.247673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.247673 (E_RNA)
where:
Base-Base interactions energy: -91.475
where: short stacking energy: -43.757
Base-Backbone interact. energy: -0.457
local terms energy: -57.315396
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -6.972
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: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -90.609497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.609497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.609497 (E_RNA)
where:
Base-Base interactions energy: -39.091
where: short stacking energy: -23.471
Base-Backbone interact. energy: -0.496
local terms energy: -51.022247
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -8.932
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: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -99.322989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.322989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.322989 (E_RNA)
where:
Base-Base interactions energy: -41.974
where: short stacking energy: -36.880
Base-Backbone interact. energy: -0.196
local terms energy: -57.153122
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -88.691896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.691896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.691896 (E_RNA)
where:
Base-Base interactions energy: -33.524
where: short stacking energy: -26.200
Base-Backbone interact. energy: -0.021
local terms energy: -55.146264
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -71.001934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.001934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.001934 (E_RNA)
where:
Base-Base interactions energy: -13.728
where: short stacking energy: -12.754
Base-Backbone interact. energy: -0.160
local terms energy: -57.113679
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -9.941
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: 1, replica: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -228.091504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.091504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.091504 (E_RNA)
where:
Base-Base interactions energy: -162.939
where: short stacking energy: -48.962
Base-Backbone interact. energy: -0.115
local terms energy: -65.038171
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -12.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -220.799930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.799930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.799930 (E_RNA)
where:
Base-Base interactions energy: -149.648
where: short stacking energy: -72.913
Base-Backbone interact. energy: -0.014
local terms energy: -71.137820
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -8.746
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -209.003077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.003077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.003077 (E_RNA)
where:
Base-Base interactions energy: -133.484
where: short stacking energy: -62.220
Base-Backbone interact. energy: -0.609
local terms energy: -74.909417
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -200.539833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.539833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.539833 (E_RNA)
where:
Base-Base interactions energy: -129.265
where: short stacking energy: -50.723
Base-Backbone interact. energy: -0.002
local terms energy: -71.272036
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -203.880035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.880035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.880035 (E_RNA)
where:
Base-Base interactions energy: -140.451
where: short stacking energy: -54.837
Base-Backbone interact. energy: 0.399
local terms energy: -63.827561
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -167.807718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.807718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.807718 (E_RNA)
where:
Base-Base interactions energy: -100.727
where: short stacking energy: -51.250
Base-Backbone interact. energy: -0.038
local terms energy: -67.042775
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -8.085
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: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -95.798246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.798246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.798246 (E_RNA)
where:
Base-Base interactions energy: -40.156
where: short stacking energy: -38.374
Base-Backbone interact. energy: -0.075
local terms energy: -55.567154
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -83.539094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.539094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.539094 (E_RNA)
where:
Base-Base interactions energy: -29.255
where: short stacking energy: -22.622
Base-Backbone interact. energy: 1.082
local terms energy: -55.366531
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -98.177660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.177660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.177660 (E_RNA)
where:
Base-Base interactions energy: -44.427
where: short stacking energy: -27.300
Base-Backbone interact. energy: -0.269
local terms energy: -53.480972
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -83.403538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.403538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.403538 (E_RNA)
where:
Base-Base interactions energy: -34.289
where: short stacking energy: -30.871
Base-Backbone interact. energy: -0.152
local terms energy: -48.962866
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: 0.630
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: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -220.054051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.054051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.054051 (E_RNA)
where:
Base-Base interactions energy: -142.505
where: short stacking energy: -61.622
Base-Backbone interact. energy: -0.954
local terms energy: -76.595853
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -208.426123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.426123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.426123 (E_RNA)
where:
Base-Base interactions energy: -135.125
where: short stacking energy: -48.386
Base-Backbone interact. energy: -0.534
local terms energy: -72.766984
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -209.348611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.348611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.348611 (E_RNA)
where:
Base-Base interactions energy: -140.669
where: short stacking energy: -58.713
Base-Backbone interact. energy: -1.139
local terms energy: -67.540562
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -215.134080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.134080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.134080 (E_RNA)
where:
Base-Base interactions energy: -142.800
where: short stacking energy: -53.528
Base-Backbone interact. energy: -0.047
local terms energy: -72.287726
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -204.237315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.237315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.237315 (E_RNA)
where:
Base-Base interactions energy: -143.096
where: short stacking energy: -62.268
Base-Backbone interact. energy: -0.014
local terms energy: -61.127394
where:
bonds (distance) C4'-P energy: -6.273
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -155.096808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.096808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.096808 (E_RNA)
where:
Base-Base interactions energy: -87.555
where: short stacking energy: -40.186
Base-Backbone interact. energy: -0.025
local terms energy: -67.516841
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -12.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -92.395889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.395889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.395889 (E_RNA)
where:
Base-Base interactions energy: -38.474
where: short stacking energy: -33.585
Base-Backbone interact. energy: 3.310
local terms energy: -57.231566
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -9.511
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: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -89.640632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.640632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.640632 (E_RNA)
where:
Base-Base interactions energy: -38.985
where: short stacking energy: -35.044
Base-Backbone interact. energy: -0.030
local terms energy: -50.625558
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -85.171238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.171238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.171238 (E_RNA)
where:
Base-Base interactions energy: -40.054
where: short stacking energy: -16.632
Base-Backbone interact. energy: -0.429
local terms energy: -44.688004
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -11.937
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: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -66.357229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.357229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.357229 (E_RNA)
where:
Base-Base interactions energy: -14.798
where: short stacking energy: -11.010
Base-Backbone interact. energy: -0.933
local terms energy: -50.625980
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: 2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -230.498785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.498785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.498785 (E_RNA)
where:
Base-Base interactions energy: -148.941
where: short stacking energy: -70.778
Base-Backbone interact. energy: -0.169
local terms energy: -81.388972
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -219.943010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.943010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.943010 (E_RNA)
where:
Base-Base interactions energy: -142.822
where: short stacking energy: -65.347
Base-Backbone interact. energy: -0.004
local terms energy: -77.116723
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -201.466782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.466782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.466782 (E_RNA)
where:
Base-Base interactions energy: -130.821
where: short stacking energy: -44.885
Base-Backbone interact. energy: -0.092
local terms energy: -70.553915
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -219.428463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.428463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.428463 (E_RNA)
where:
Base-Base interactions energy: -150.681
where: short stacking energy: -57.253
Base-Backbone interact. energy: -0.023
local terms energy: -68.724278
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -16.468
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: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -201.825029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.825029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.825029 (E_RNA)
where:
Base-Base interactions energy: -135.210
where: short stacking energy: -53.545
Base-Backbone interact. energy: -0.102
local terms energy: -66.512771
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -13.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -167.632166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.632166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.632166 (E_RNA)
where:
Base-Base interactions energy: -106.357
where: short stacking energy: -59.777
Base-Backbone interact. energy: -0.636
local terms energy: -60.639310
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -15.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -82.931558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.931558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.931558 (E_RNA)
where:
Base-Base interactions energy: -42.113
where: short stacking energy: -38.215
Base-Backbone interact. energy: -0.090
local terms energy: -40.727982
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -2.276
tors. eta vs tors. theta energy: -2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -87.304771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.304771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.304771 (E_RNA)
where:
Base-Base interactions energy: -38.458
where: short stacking energy: -30.681
Base-Backbone interact. energy: 0.418
local terms energy: -49.265268
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -81.249950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.249950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.249950 (E_RNA)
where:
Base-Base interactions energy: -35.859
where: short stacking energy: -36.572
Base-Backbone interact. energy: -0.084
local terms energy: -45.307177
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -77.612122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.612122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.612122 (E_RNA)
where:
Base-Base interactions energy: -24.830
where: short stacking energy: -23.286
Base-Backbone interact. energy: -0.299
local terms energy: -52.483385
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -224.106957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.106957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.106957 (E_RNA)
where:
Base-Base interactions energy: -144.127
where: short stacking energy: -72.863
Base-Backbone interact. energy: -1.011
local terms energy: -78.968746
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -21.462
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: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -220.963587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.963587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.963587 (E_RNA)
where:
Base-Base interactions energy: -147.437
where: short stacking energy: -57.390
Base-Backbone interact. energy: -1.812
local terms energy: -71.713776
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -18.804
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: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -216.732782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.732782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.732782 (E_RNA)
where:
Base-Base interactions energy: -142.736
where: short stacking energy: -55.865
Base-Backbone interact. energy: -0.061
local terms energy: -73.934971
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -18.581
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: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -207.172612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.172612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.172612 (E_RNA)
where:
Base-Base interactions energy: -134.868
where: short stacking energy: -53.755
Base-Backbone interact. energy: -0.043
local terms energy: -72.261386
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -13.951
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: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -168.925904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.925904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.925904 (E_RNA)
where:
Base-Base interactions energy: -100.894
where: short stacking energy: -40.886
Base-Backbone interact. energy: -0.072
local terms energy: -67.960114
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -12.436
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: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -170.017152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.017152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.017152 (E_RNA)
where:
Base-Base interactions energy: -117.511
where: short stacking energy: -43.359
Base-Backbone interact. energy: 0.919
local terms energy: -53.425602
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -101.827475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.827475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.827475 (E_RNA)
where:
Base-Base interactions energy: -53.319
where: short stacking energy: -28.533
Base-Backbone interact. energy: 0.917
local terms energy: -49.426042
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -3.779
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: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -121.946496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.946496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.946496 (E_RNA)
where:
Base-Base interactions energy: -67.572
where: short stacking energy: -40.687
Base-Backbone interact. energy: -0.025
local terms energy: -54.349709
where:
bonds (distance) C4'-P energy: -5.965
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -12.459
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: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -80.622920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.622920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.622920 (E_RNA)
where:
Base-Base interactions energy: -36.293
where: short stacking energy: -30.220
Base-Backbone interact. energy: -0.483
local terms energy: -43.846700
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -86.569100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.569100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.569100 (E_RNA)
where:
Base-Base interactions energy: -29.420
where: short stacking energy: -29.245
Base-Backbone interact. energy: -0.234
local terms energy: -56.914326
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -7.844
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: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -222.766572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.766572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.766572 (E_RNA)
where:
Base-Base interactions energy: -148.416
where: short stacking energy: -64.320
Base-Backbone interact. energy: -0.006
local terms energy: -74.344588
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -213.800097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.800097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.800097 (E_RNA)
where:
Base-Base interactions energy: -151.936
where: short stacking energy: -58.790
Base-Backbone interact. energy: -0.054
local terms energy: -61.810079
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -13.892
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: 397
Temperature: 1.000000
Total energy: -215.738687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.738687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.738687 (E_RNA)
where:
Base-Base interactions energy: -139.074
where: short stacking energy: -63.780
Base-Backbone interact. energy: -1.329
local terms energy: -75.335499
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -180.993313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.993313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.993313 (E_RNA)
where:
Base-Base interactions energy: -109.195
where: short stacking energy: -59.164
Base-Backbone interact. energy: -0.002
local terms energy: -71.796399
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -205.291406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.291406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.291406 (E_RNA)
where:
Base-Base interactions energy: -132.237
where: short stacking energy: -52.932
Base-Backbone interact. energy: -0.316
local terms energy: -72.739171
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -187.899086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.899086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.899086 (E_RNA)
where:
Base-Base interactions energy: -136.946
where: short stacking energy: -49.266
Base-Backbone interact. energy: -0.098
local terms energy: -50.855738
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -8.499
flat angles P-C4'-P energy: -4.863
tors. eta vs tors. theta energy: -13.098
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: 7, replica: 7
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -88.615581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.615581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.615581 (E_RNA)
where:
Base-Base interactions energy: -36.223
where: short stacking energy: -34.561
Base-Backbone interact. energy: -0.168
local terms energy: -52.224573
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -7.291
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: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -92.641686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.641686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.641686 (E_RNA)
where:
Base-Base interactions energy: -50.323
where: short stacking energy: -37.089
Base-Backbone interact. energy: -0.039
local terms energy: -42.279709
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -8.407
flat angles P-C4'-P energy: -2.591
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -133.085790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.085790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.085790 (E_RNA)
where:
Base-Base interactions energy: -81.040
where: short stacking energy: -34.103
Base-Backbone interact. energy: -0.123
local terms energy: -51.922672
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -7.829
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -73.137603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.137603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.137603 (E_RNA)
where:
Base-Base interactions energy: -27.343
where: short stacking energy: -24.011
Base-Backbone interact. energy: -0.210
local terms energy: -45.584977
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -234.512951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.512951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.512951 (E_RNA)
where:
Base-Base interactions energy: -156.449
where: short stacking energy: -65.654
Base-Backbone interact. energy: -0.299
local terms energy: -77.764893
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -211.825571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.825571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.825571 (E_RNA)
where:
Base-Base interactions energy: -140.294
where: short stacking energy: -67.033
Base-Backbone interact. energy: 0.887
local terms energy: -72.417754
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -215.431664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.431664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.431664 (E_RNA)
where:
Base-Base interactions energy: -137.732
where: short stacking energy: -56.733
Base-Backbone interact. energy: -0.008
local terms energy: -77.691104
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -174.886929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.886929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.886929 (E_RNA)
where:
Base-Base interactions energy: -109.090
where: short stacking energy: -53.338
Base-Backbone interact. energy: -0.044
local terms energy: -65.752582
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -201.881632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.881632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.881632 (E_RNA)
where:
Base-Base interactions energy: -132.590
where: short stacking energy: -55.934
Base-Backbone interact. energy: -0.102
local terms energy: -69.190462
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -8.389
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -178.664398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.664398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.664398 (E_RNA)
where:
Base-Base interactions energy: -116.153
where: short stacking energy: -48.166
Base-Backbone interact. energy: -0.076
local terms energy: -62.435064
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -11.501
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: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -101.859287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.859287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.859287 (E_RNA)
where:
Base-Base interactions energy: -48.563
where: short stacking energy: -30.310
Base-Backbone interact. energy: -0.164
local terms energy: -53.132274
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -3.774
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: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -86.290368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.290368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.290368 (E_RNA)
where:
Base-Base interactions energy: -36.211
where: short stacking energy: -36.211
Base-Backbone interact. energy: -0.154
local terms energy: -49.925552
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -8.245
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -7.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -72.724772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.724772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.724772 (E_RNA)
where:
Base-Base interactions energy: -22.761
where: short stacking energy: -19.748
Base-Backbone interact. energy: -0.104
local terms energy: -49.859776
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -81.555548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.555548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.555548 (E_RNA)
where:
Base-Base interactions energy: -41.490
where: short stacking energy: -18.318
Base-Backbone interact. energy: -0.317
local terms energy: -39.748707
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -6.859
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: 0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -226.419363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.419363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.419363 (E_RNA)
where:
Base-Base interactions energy: -157.291
where: short stacking energy: -65.974
Base-Backbone interact. energy: -0.082
local terms energy: -69.046112
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -229.567587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.567587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.567587 (E_RNA)
where:
Base-Base interactions energy: -145.957
where: short stacking energy: -69.349
Base-Backbone interact. energy: -0.331
local terms energy: -83.279689
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -207.650369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.650369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.650369 (E_RNA)
where:
Base-Base interactions energy: -139.667
where: short stacking energy: -68.928
Base-Backbone interact. energy: 0.612
local terms energy: -68.595811
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -206.178807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.178807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.178807 (E_RNA)
where:
Base-Base interactions energy: -135.278
where: short stacking energy: -58.466
Base-Backbone interact. energy: -0.003
local terms energy: -70.896825
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -172.653250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.653250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.653250 (E_RNA)
where:
Base-Base interactions energy: -110.593
where: short stacking energy: -53.277
Base-Backbone interact. energy: -0.463
local terms energy: -61.597171
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -11.956
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: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -179.658466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.658466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.658466 (E_RNA)
where:
Base-Base interactions energy: -118.923
where: short stacking energy: -45.591
Base-Backbone interact. energy: 0.860
local terms energy: -61.595970
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -8.635
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: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -100.684979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.684979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.684979 (E_RNA)
where:
Base-Base interactions energy: -41.951
where: short stacking energy: -40.069
Base-Backbone interact. energy: -0.053
local terms energy: -58.681360
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -86.380178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.380178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.380178 (E_RNA)
where:
Base-Base interactions energy: -36.096
where: short stacking energy: -29.444
Base-Backbone interact. energy: -0.145
local terms energy: -50.138746
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -86.783048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.783048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.783048 (E_RNA)
where:
Base-Base interactions energy: -45.996
where: short stacking energy: -27.405
Base-Backbone interact. energy: -0.189
local terms energy: -40.597885
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -7.393
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -75.248737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.248737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.248737 (E_RNA)
where:
Base-Base interactions energy: -23.097
where: short stacking energy: -19.322
Base-Backbone interact. energy: -0.161
local terms energy: -51.990268
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -10.794
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: 1, replica: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -230.613531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.613531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.613531 (E_RNA)
where:
Base-Base interactions energy: -156.598
where: short stacking energy: -64.501
Base-Backbone interact. energy: -0.760
local terms energy: -73.255523
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -18.707
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: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -222.959782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.959782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.959782 (E_RNA)
where:
Base-Base interactions energy: -150.424
where: short stacking energy: -59.160
Base-Backbone interact. energy: -0.093
local terms energy: -72.442453
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -217.998012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.998012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.998012 (E_RNA)
where:
Base-Base interactions energy: -147.663
where: short stacking energy: -48.971
Base-Backbone interact. energy: -0.099
local terms energy: -70.235671
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -190.146285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.146285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.146285 (E_RNA)
where:
Base-Base interactions energy: -124.339
where: short stacking energy: -56.391
Base-Backbone interact. energy: -0.161
local terms energy: -65.646380
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -192.464884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.464884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.464884 (E_RNA)
where:
Base-Base interactions energy: -120.073
where: short stacking energy: -50.406
Base-Backbone interact. energy: 0.749
local terms energy: -73.141116
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -18.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -181.975418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.975418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.975418 (E_RNA)
where:
Base-Base interactions energy: -120.715
where: short stacking energy: -49.531
Base-Backbone interact. energy: -0.027
local terms energy: -61.233743
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -9.785
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: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -94.876776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.876776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.876776 (E_RNA)
where:
Base-Base interactions energy: -39.627
where: short stacking energy: -39.627
Base-Backbone interact. energy: 0.266
local terms energy: -55.515100
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -3.859
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: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -87.144681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.144681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.144681 (E_RNA)
where:
Base-Base interactions energy: -42.135
where: short stacking energy: -17.320
Base-Backbone interact. energy: -0.231
local terms energy: -44.779096
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -80.785371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.785371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.785371 (E_RNA)
where:
Base-Base interactions energy: -31.773
where: short stacking energy: -23.316
Base-Backbone interact. energy: -0.304
local terms energy: -48.707903
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: 0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -77.668611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.668611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.668611 (E_RNA)
where:
Base-Base interactions energy: -26.058
where: short stacking energy: -19.382
Base-Backbone interact. energy: -0.660
local terms energy: -50.950248
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -5.234
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: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -223.404560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.404560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.404560 (E_RNA)
where:
Base-Base interactions energy: -151.238
where: short stacking energy: -63.853
Base-Backbone interact. energy: -0.098
local terms energy: -72.068709
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -18.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -220.303382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.303382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.303382 (E_RNA)
where:
Base-Base interactions energy: -149.400
where: short stacking energy: -53.030
Base-Backbone interact. energy: -0.347
local terms energy: -70.556764
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -216.345665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.345665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.345665 (E_RNA)
where:
Base-Base interactions energy: -148.787
where: short stacking energy: -57.661
Base-Backbone interact. energy: -0.024
local terms energy: -67.534614
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -202.449261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.449261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.449261 (E_RNA)
where:
Base-Base interactions energy: -134.192
where: short stacking energy: -51.662
Base-Backbone interact. energy: -0.014
local terms energy: -68.242673
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -204.126007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.126007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.126007 (E_RNA)
where:
Base-Base interactions energy: -129.971
where: short stacking energy: -57.987
Base-Backbone interact. energy: -0.006
local terms energy: -74.148225
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -177.683743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.683743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.683743 (E_RNA)
where:
Base-Base interactions energy: -112.148
where: short stacking energy: -40.472
Base-Backbone interact. energy: -0.121
local terms energy: -65.415645
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -6.713
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: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -100.834594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.834594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.834594 (E_RNA)
where:
Base-Base interactions energy: -41.202
where: short stacking energy: -40.499
Base-Backbone interact. energy: -0.107
local terms energy: -59.524631
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -91.683668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.683668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.683668 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -24.826
Base-Backbone interact. energy: 0.061
local terms energy: -54.507752
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -10.492
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: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -81.949467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.949467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.949467 (E_RNA)
where:
Base-Base interactions energy: -30.745
where: short stacking energy: -21.730
Base-Backbone interact. energy: -0.001
local terms energy: -51.203194
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -78.042021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.042021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.042021 (E_RNA)
where:
Base-Base interactions energy: -30.609
where: short stacking energy: -28.511
Base-Backbone interact. energy: -0.190
local terms energy: -47.243156
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -231.491581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.491581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.491581 (E_RNA)
where:
Base-Base interactions energy: -155.150
where: short stacking energy: -70.092
Base-Backbone interact. energy: -0.694
local terms energy: -75.647805
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -217.405718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.405718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.405718 (E_RNA)
where:
Base-Base interactions energy: -146.887
where: short stacking energy: -54.906
Base-Backbone interact. energy: -0.178
local terms energy: -70.340561
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -18.717
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: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -218.882925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.882925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.882925 (E_RNA)
where:
Base-Base interactions energy: -143.820
where: short stacking energy: -63.469
Base-Backbone interact. energy: -0.014
local terms energy: -75.048645
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -206.087209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.087209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.087209 (E_RNA)
where:
Base-Base interactions energy: -136.544
where: short stacking energy: -60.460
Base-Backbone interact. energy: -0.103
local terms energy: -69.439577
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -187.424572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.424572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.424572 (E_RNA)
where:
Base-Base interactions energy: -121.441
where: short stacking energy: -48.472
Base-Backbone interact. energy: -0.027
local terms energy: -65.957205
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -11.583
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: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -211.588664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.588664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.588664 (E_RNA)
where:
Base-Base interactions energy: -143.426
where: short stacking energy: -61.137
Base-Backbone interact. energy: -0.015
local terms energy: -68.147435
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -18.039
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: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -94.111582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.111582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.111582 (E_RNA)
where:
Base-Base interactions energy: -46.882
where: short stacking energy: -32.611
Base-Backbone interact. energy: -0.190
local terms energy: -47.039011
where:
bonds (distance) C4'-P energy: -7.371
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -83.147345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.147345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.147345 (E_RNA)
where:
Base-Base interactions energy: -28.415
where: short stacking energy: -28.415
Base-Backbone interact. energy: -0.181
local terms energy: -54.551091
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -6.180
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: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -76.767719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.767719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.767719 (E_RNA)
where:
Base-Base interactions energy: -26.595
where: short stacking energy: -26.403
Base-Backbone interact. energy: -1.370
local terms energy: -48.802552
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -93.271551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.271551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.271551 (E_RNA)
where:
Base-Base interactions energy: -48.337
where: short stacking energy: -34.139
Base-Backbone interact. energy: 2.511
local terms energy: -47.445685
where:
bonds (distance) C4'-P energy: -6.633
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -225.721526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.721526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.721526 (E_RNA)
where:
Base-Base interactions energy: -144.938
where: short stacking energy: -63.725
Base-Backbone interact. energy: -0.037
local terms energy: -80.747057
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -228.969392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.969392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.969392 (E_RNA)
where:
Base-Base interactions energy: -150.812
where: short stacking energy: -64.472
Base-Backbone interact. energy: -0.068
local terms energy: -78.089025
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -220.399255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.399255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.399255 (E_RNA)
where:
Base-Base interactions energy: -143.822
where: short stacking energy: -71.161
Base-Backbone interact. energy: -0.056
local terms energy: -76.520874
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -21.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -216.697542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.697542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.697542 (E_RNA)
where:
Base-Base interactions energy: -143.265
where: short stacking energy: -52.461
Base-Backbone interact. energy: -0.034
local terms energy: -73.399056
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -199.775361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.775361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.775361 (E_RNA)
where:
Base-Base interactions energy: -128.108
where: short stacking energy: -60.410
Base-Backbone interact. energy: 0.575
local terms energy: -72.242353
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -190.016580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.016580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.016580 (E_RNA)
where:
Base-Base interactions energy: -130.578
where: short stacking energy: -52.735
Base-Backbone interact. energy: -0.022
local terms energy: -59.417257
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -86.213045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.213045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.213045 (E_RNA)
where:
Base-Base interactions energy: -28.365
where: short stacking energy: -28.365
Base-Backbone interact. energy: -0.163
local terms energy: -57.685286
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -10.882
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: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -84.983721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.983721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.983721 (E_RNA)
where:
Base-Base interactions energy: -35.986
where: short stacking energy: -29.162
Base-Backbone interact. energy: -0.506
local terms energy: -48.491408
where:
bonds (distance) C4'-P energy: -7.748
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -8.144
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: 403
Temperature: 1.300000
Total energy: -76.606685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.606685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.606685 (E_RNA)
where:
Base-Base interactions energy: -24.253
where: short stacking energy: -18.010
Base-Backbone interact. energy: 2.612
local terms energy: -54.965418
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -83.253699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.253699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.253699 (E_RNA)
where:
Base-Base interactions energy: -41.099
where: short stacking energy: -19.146
Base-Backbone interact. energy: 0.431
local terms energy: -42.586113
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -4.611
flat angles P-C4'-P energy: -3.446
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -226.279286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.279286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.279286 (E_RNA)
where:
Base-Base interactions energy: -153.728
where: short stacking energy: -58.207
Base-Backbone interact. energy: -0.015
local terms energy: -72.536303
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -15.477
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: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -216.115137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.115137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.115137 (E_RNA)
where:
Base-Base interactions energy: -139.565
where: short stacking energy: -68.219
Base-Backbone interact. energy: -0.942
local terms energy: -75.608707
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -212.753089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.753089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.753089 (E_RNA)
where:
Base-Base interactions energy: -142.135
where: short stacking energy: -53.342
Base-Backbone interact. energy: -0.067
local terms energy: -70.551137
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -13.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -198.758174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.758174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.758174 (E_RNA)
where:
Base-Base interactions energy: -137.475
where: short stacking energy: -57.329
Base-Backbone interact. energy: -0.242
local terms energy: -61.041234
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -211.348738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.348738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.348738 (E_RNA)
where:
Base-Base interactions energy: -143.257
where: short stacking energy: -60.872
Base-Backbone interact. energy: -0.301
local terms energy: -67.789969
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -184.617932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.617932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.617932 (E_RNA)
where:
Base-Base interactions energy: -117.280
where: short stacking energy: -41.829
Base-Backbone interact. energy: -0.506
local terms energy: -66.832086
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -101.918463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.918463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.918463 (E_RNA)
where:
Base-Base interactions energy: -42.864
where: short stacking energy: -26.784
Base-Backbone interact. energy: -0.992
local terms energy: -58.063075
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -8.281
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: 8, replica: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -91.337736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.337736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.337736 (E_RNA)
where:
Base-Base interactions energy: -32.940
where: short stacking energy: -29.357
Base-Backbone interact. energy: 0.208
local terms energy: -58.605298
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -86.037188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.037188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.037188 (E_RNA)
where:
Base-Base interactions energy: -34.088
where: short stacking energy: -19.495
Base-Backbone interact. energy: -0.427
local terms energy: -51.522562
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: 2.809
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: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -78.749931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.749931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.749931 (E_RNA)
where:
Base-Base interactions energy: -27.823
where: short stacking energy: -20.333
Base-Backbone interact. energy: -0.144
local terms energy: -50.782983
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -228.308988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.308988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.308988 (E_RNA)
where:
Base-Base interactions energy: -151.149
where: short stacking energy: -59.537
Base-Backbone interact. energy: -0.152
local terms energy: -77.007844
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -215.924005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.924005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.924005 (E_RNA)
where:
Base-Base interactions energy: -144.431
where: short stacking energy: -59.245
Base-Backbone interact. energy: -0.129
local terms energy: -71.364275
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -220.326580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.326580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.326580 (E_RNA)
where:
Base-Base interactions energy: -150.537
where: short stacking energy: -62.304
Base-Backbone interact. energy: 0.338
local terms energy: -70.127622
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -198.669673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.669673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.669673 (E_RNA)
where:
Base-Base interactions energy: -131.078
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.177
local terms energy: -67.414508
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -20.514
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: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -185.911231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.911231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.911231 (E_RNA)
where:
Base-Base interactions energy: -123.910
where: short stacking energy: -39.967
Base-Backbone interact. energy: -0.036
local terms energy: -61.965707
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -184.769613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.769613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.769613 (E_RNA)
where:
Base-Base interactions energy: -120.623
where: short stacking energy: -48.255
Base-Backbone interact. energy: -0.617
local terms energy: -63.529953
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -85.477867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.477867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.477867 (E_RNA)
where:
Base-Base interactions energy: -32.533
where: short stacking energy: -19.626
Base-Backbone interact. energy: -0.209
local terms energy: -52.735419
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -85.203740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.203740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.203740 (E_RNA)
where:
Base-Base interactions energy: -33.645
where: short stacking energy: -17.482
Base-Backbone interact. energy: -0.606
local terms energy: -50.952805
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: 3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -93.224140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.224140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.224140 (E_RNA)
where:
Base-Base interactions energy: -33.027
where: short stacking energy: -23.109
Base-Backbone interact. energy: -0.156
local terms energy: -60.041298
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -6.315
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: 405
Temperature: 1.350000
Total energy: -82.349883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349883 (E_RNA)
where:
Base-Base interactions energy: -34.779
where: short stacking energy: -25.753
Base-Backbone interact. energy: -0.332
local terms energy: -47.239143
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -218.886696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.886696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.886696 (E_RNA)
where:
Base-Base interactions energy: -150.533
where: short stacking energy: -53.691
Base-Backbone interact. energy: 0.090
local terms energy: -68.444393
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -13.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -222.788584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.788584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.788584 (E_RNA)
where:
Base-Base interactions energy: -147.863
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.057
local terms energy: -74.868171
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -211.621590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.621590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.621590 (E_RNA)
where:
Base-Base interactions energy: -148.450
where: short stacking energy: -61.796
Base-Backbone interact. energy: -0.060
local terms energy: -63.111668
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -203.429815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.429815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.429815 (E_RNA)
where:
Base-Base interactions energy: -126.911
where: short stacking energy: -62.629
Base-Backbone interact. energy: -0.396
local terms energy: -76.122633
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -20.065
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: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -203.917500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.917500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.917500 (E_RNA)
where:
Base-Base interactions energy: -137.916
where: short stacking energy: -55.109
Base-Backbone interact. energy: -0.010
local terms energy: -65.991150
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -190.627173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.627173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.627173 (E_RNA)
where:
Base-Base interactions energy: -126.741
where: short stacking energy: -54.381
Base-Backbone interact. energy: 0.249
local terms energy: -64.135545
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -90.262701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.262701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.262701 (E_RNA)
where:
Base-Base interactions energy: -45.059
where: short stacking energy: -29.228
Base-Backbone interact. energy: -0.008
local terms energy: -45.195336
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -83.153689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.153689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.153689 (E_RNA)
where:
Base-Base interactions energy: -32.011
where: short stacking energy: -32.011
Base-Backbone interact. energy: -0.007
local terms energy: -51.135436
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -72.882767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.882767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.882767 (E_RNA)
where:
Base-Base interactions energy: -21.015
where: short stacking energy: -21.015
Base-Backbone interact. energy: -0.601
local terms energy: -51.266705
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -6.407
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: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -74.406653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.406653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.406653 (E_RNA)
where:
Base-Base interactions energy: -34.161
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.322
local terms energy: -39.924526
where:
bonds (distance) C4'-P energy: -7.732
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -3.328
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -215.102019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.102019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.102019 (E_RNA)
where:
Base-Base interactions energy: -142.234
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.010
local terms energy: -72.858252
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -225.864855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.864855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.864855 (E_RNA)
where:
Base-Base interactions energy: -151.390
where: short stacking energy: -57.508
Base-Backbone interact. energy: -0.153
local terms energy: -74.322277
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -19.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -223.772438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.772438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.772438 (E_RNA)
where:
Base-Base interactions energy: -154.544
where: short stacking energy: -56.377
Base-Backbone interact. energy: 0.606
local terms energy: -69.834170
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -216.376072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.376072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.376072 (E_RNA)
where:
Base-Base interactions energy: -139.166
where: short stacking energy: -63.013
Base-Backbone interact. energy: -0.049
local terms energy: -77.160962
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -175.859766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.859766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.859766 (E_RNA)
where:
Base-Base interactions energy: -113.380
where: short stacking energy: -57.491
Base-Backbone interact. energy: -0.624
local terms energy: -61.855968
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -16.903
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: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -179.146520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.146520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.146520 (E_RNA)
where:
Base-Base interactions energy: -118.186
where: short stacking energy: -42.884
Base-Backbone interact. energy: -0.156
local terms energy: -60.804011
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -11.644
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: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -102.280126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.280126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.280126 (E_RNA)
where:
Base-Base interactions energy: -57.604
where: short stacking energy: -32.796
Base-Backbone interact. energy: -1.415
local terms energy: -43.260998
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -88.479254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.479254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.479254 (E_RNA)
where:
Base-Base interactions energy: -32.673
where: short stacking energy: -32.673
Base-Backbone interact. energy: -0.000
local terms energy: -55.805564
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -7.076
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: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -87.305393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.305393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.305393 (E_RNA)
where:
Base-Base interactions energy: -34.341
where: short stacking energy: -32.743
Base-Backbone interact. energy: 0.348
local terms energy: -53.312690
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -7.859
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -77.301094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.301094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.301094 (E_RNA)
where:
Base-Base interactions energy: -27.189
where: short stacking energy: -21.811
Base-Backbone interact. energy: -0.102
local terms energy: -50.009315
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -6.606
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: 1, replica: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -217.832016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.832016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.832016 (E_RNA)
where:
Base-Base interactions energy: -140.765
where: short stacking energy: -58.253
Base-Backbone interact. energy: -0.010
local terms energy: -77.056587
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -224.630784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.630784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.630784 (E_RNA)
where:
Base-Base interactions energy: -149.997
where: short stacking energy: -57.020
Base-Backbone interact. energy: -0.112
local terms energy: -74.521148
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -219.782288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.782288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.782288 (E_RNA)
where:
Base-Base interactions energy: -139.768
where: short stacking energy: -69.245
Base-Backbone interact. energy: -1.550
local terms energy: -78.464659
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -211.328861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.328861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.328861 (E_RNA)
where:
Base-Base interactions energy: -138.120
where: short stacking energy: -50.723
Base-Backbone interact. energy: -0.160
local terms energy: -73.048486
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -180.846857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.846857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.846857 (E_RNA)
where:
Base-Base interactions energy: -115.539
where: short stacking energy: -57.998
Base-Backbone interact. energy: -0.044
local terms energy: -65.263633
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -14.241
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: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -160.527214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.527214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.527214 (E_RNA)
where:
Base-Base interactions energy: -96.755
where: short stacking energy: -43.442
Base-Backbone interact. energy: -0.158
local terms energy: -63.613798
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -105.287793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.287793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.287793 (E_RNA)
where:
Base-Base interactions energy: -44.944
where: short stacking energy: -40.855
Base-Backbone interact. energy: 0.457
local terms energy: -60.800701
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -13.927
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: 408
Temperature: 1.250000
Total energy: -90.651733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.651733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.651733 (E_RNA)
where:
Base-Base interactions energy: -43.968
where: short stacking energy: -25.170
Base-Backbone interact. energy: -0.259
local terms energy: -46.423853
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -79.416026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.416026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.416026 (E_RNA)
where:
Base-Base interactions energy: -35.317
where: short stacking energy: -24.073
Base-Backbone interact. energy: 0.911
local terms energy: -45.009758
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -2.629
tors. eta vs tors. theta energy: 0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -73.286864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.286864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.286864 (E_RNA)
where:
Base-Base interactions energy: -29.336
where: short stacking energy: -14.511
Base-Backbone interact. energy: -1.271
local terms energy: -42.680033
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: 0.544
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: 10
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -224.596224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.596224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.596224 (E_RNA)
where:
Base-Base interactions energy: -155.262
where: short stacking energy: -63.484
Base-Backbone interact. energy: -0.086
local terms energy: -69.248774
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -218.652557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.652557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.652557 (E_RNA)
where:
Base-Base interactions energy: -141.119
where: short stacking energy: -64.398
Base-Backbone interact. energy: -0.016
local terms energy: -77.517769
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -206.902978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.902978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.902978 (E_RNA)
where:
Base-Base interactions energy: -138.322
where: short stacking energy: -48.367
Base-Backbone interact. energy: -0.683
local terms energy: -67.898668
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -14.671
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: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -206.069794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.069794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.069794 (E_RNA)
where:
Base-Base interactions energy: -134.768
where: short stacking energy: -63.055
Base-Backbone interact. energy: -0.614
local terms energy: -70.687994
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -189.812653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.812653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.812653 (E_RNA)
where:
Base-Base interactions energy: -117.273
where: short stacking energy: -55.063
Base-Backbone interact. energy: -0.001
local terms energy: -72.538695
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -19.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -159.138684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.138684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.138684 (E_RNA)
where:
Base-Base interactions energy: -98.972
where: short stacking energy: -53.598
Base-Backbone interact. energy: -0.320
local terms energy: -59.846402
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -6.962
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -11.212
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: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -90.644019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.644019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.644019 (E_RNA)
where:
Base-Base interactions energy: -32.305
where: short stacking energy: -32.305
Base-Backbone interact. energy: -0.150
local terms energy: -58.188296
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -9.485
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -78.518831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.518831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.518831 (E_RNA)
where:
Base-Base interactions energy: -35.720
where: short stacking energy: -30.736
Base-Backbone interact. energy: -0.024
local terms energy: -42.773922
where:
bonds (distance) C4'-P energy: -7.217
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -82.179301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.179301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.179301 (E_RNA)
where:
Base-Base interactions energy: -37.336
where: short stacking energy: -34.984
Base-Backbone interact. energy: -0.097
local terms energy: -44.745806
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -2.881
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: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -72.350321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.350321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.350321 (E_RNA)
where:
Base-Base interactions energy: -25.038
where: short stacking energy: -21.677
Base-Backbone interact. energy: 0.517
local terms energy: -47.830165
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -215.975396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.975396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.975396 (E_RNA)
where:
Base-Base interactions energy: -140.101
where: short stacking energy: -57.264
Base-Backbone interact. energy: -0.043
local terms energy: -75.831935
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -225.462373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.462373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.462373 (E_RNA)
where:
Base-Base interactions energy: -151.611
where: short stacking energy: -61.574
Base-Backbone interact. energy: -0.042
local terms energy: -73.808573
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -218.150536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.150536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.150536 (E_RNA)
where:
Base-Base interactions energy: -141.247
where: short stacking energy: -67.709
Base-Backbone interact. energy: -0.003
local terms energy: -76.900430
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -210.469217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.469217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.469217 (E_RNA)
where:
Base-Base interactions energy: -141.866
where: short stacking energy: -51.386
Base-Backbone interact. energy: -0.039
local terms energy: -68.564120
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -17.790
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: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -196.515891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.515891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.515891 (E_RNA)
where:
Base-Base interactions energy: -135.082
where: short stacking energy: -43.920
Base-Backbone interact. energy: -0.720
local terms energy: -60.714271
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -151.116094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.116094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.116094 (E_RNA)
where:
Base-Base interactions energy: -96.553
where: short stacking energy: -43.045
Base-Backbone interact. energy: -0.389
local terms energy: -54.173368
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -6.966
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: 7, replica: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -108.652513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.652513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.652513 (E_RNA)
where:
Base-Base interactions energy: -54.474
where: short stacking energy: -30.347
Base-Backbone interact. energy: -0.032
local terms energy: -54.146730
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -8.717
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: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -82.190783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.190783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.190783 (E_RNA)
where:
Base-Base interactions energy: -33.740
where: short stacking energy: -24.747
Base-Backbone interact. energy: -0.015
local terms energy: -48.435407
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -9.115
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -9.990
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: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -80.819164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.819164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.819164 (E_RNA)
where:
Base-Base interactions energy: -34.674
where: short stacking energy: -17.258
Base-Backbone interact. energy: -0.043
local terms energy: -46.102241
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -2.054
tors. eta vs tors. theta energy: 2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -77.325832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.325832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.325832 (E_RNA)
where:
Base-Base interactions energy: -32.362
where: short stacking energy: -20.210
Base-Backbone interact. energy: -0.167
local terms energy: -44.797170
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: 0.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -226.307334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.307334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.307334 (E_RNA)
where:
Base-Base interactions energy: -151.070
where: short stacking energy: -66.412
Base-Backbone interact. energy: -0.245
local terms energy: -74.993157
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -227.292338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.292338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.292338 (E_RNA)
where:
Base-Base interactions energy: -149.836
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.009
local terms energy: -77.447594
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -22.132
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: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -217.882590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.882590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.882590 (E_RNA)
where:
Base-Base interactions energy: -139.190
where: short stacking energy: -65.926
Base-Backbone interact. energy: -0.060
local terms energy: -78.632817
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -21.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -192.588223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.588223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.588223 (E_RNA)
where:
Base-Base interactions energy: -131.934
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.982
local terms energy: -59.671761
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -10.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -193.679624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.679624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.679624 (E_RNA)
where:
Base-Base interactions energy: -130.191
where: short stacking energy: -57.807
Base-Backbone interact. energy: -0.042
local terms energy: -63.446434
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -159.649505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.649505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.649505 (E_RNA)
where:
Base-Base interactions energy: -91.733
where: short stacking energy: -49.324
Base-Backbone interact. energy: -0.002
local terms energy: -67.914149
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -101.678068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.678068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.678068 (E_RNA)
where:
Base-Base interactions energy: -41.282
where: short stacking energy: -40.904
Base-Backbone interact. energy: -0.036
local terms energy: -60.360328
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -11.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -86.442960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.442960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.442960 (E_RNA)
where:
Base-Base interactions energy: -39.551
where: short stacking energy: -15.375
Base-Backbone interact. energy: -0.158
local terms energy: -46.733573
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: 2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -78.765078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.765078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.765078 (E_RNA)
where:
Base-Base interactions energy: -36.759
where: short stacking energy: -30.217
Base-Backbone interact. energy: -0.322
local terms energy: -41.684247
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -8.183
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: 0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -77.561461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.561461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.561461 (E_RNA)
where:
Base-Base interactions energy: -26.183
where: short stacking energy: -21.311
Base-Backbone interact. energy: -0.065
local terms energy: -51.312862
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -224.750586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.750586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.750586 (E_RNA)
where:
Base-Base interactions energy: -149.066
where: short stacking energy: -58.446
Base-Backbone interact. energy: -0.078
local terms energy: -75.606496
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -217.200326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.200326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.200326 (E_RNA)
where:
Base-Base interactions energy: -137.075
where: short stacking energy: -62.362
Base-Backbone interact. energy: -0.154
local terms energy: -79.971470
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -225.099546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.099546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.099546 (E_RNA)
where:
Base-Base interactions energy: -142.960
where: short stacking energy: -64.992
Base-Backbone interact. energy: -0.021
local terms energy: -82.117805
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -199.374129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.374129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.374129 (E_RNA)
where:
Base-Base interactions energy: -133.508
where: short stacking energy: -53.886
Base-Backbone interact. energy: -0.002
local terms energy: -65.863638
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -14.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -194.239341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.239341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.239341 (E_RNA)
where:
Base-Base interactions energy: -131.972
where: short stacking energy: -53.974
Base-Backbone interact. energy: -0.023
local terms energy: -62.244258
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -14.898
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: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -187.316659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.316659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.316659 (E_RNA)
where:
Base-Base interactions energy: -119.481
where: short stacking energy: -50.658
Base-Backbone interact. energy: -0.329
local terms energy: -67.506699
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -95.894989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.894989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.894989 (E_RNA)
where:
Base-Base interactions energy: -40.535
where: short stacking energy: -32.668
Base-Backbone interact. energy: 0.779
local terms energy: -56.139520
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.397
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: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -87.078996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.078996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.078996 (E_RNA)
where:
Base-Base interactions energy: -40.064
where: short stacking energy: -19.081
Base-Backbone interact. energy: -0.160
local terms energy: -46.854843
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: 2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -79.560439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.560439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.560439 (E_RNA)
where:
Base-Base interactions energy: -28.438
where: short stacking energy: -14.809
Base-Backbone interact. energy: -0.533
local terms energy: -50.589201
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: 4.108
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: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -65.198560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.198560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.198560 (E_RNA)
where:
Base-Base interactions energy: -27.125
where: short stacking energy: -26.613
Base-Backbone interact. energy: -1.217
local terms energy: -36.856186
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -8.118
flat angles P-C4'-P energy: -0.176
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -224.521619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.521619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.521619 (E_RNA)
where:
Base-Base interactions energy: -147.583
where: short stacking energy: -58.832
Base-Backbone interact. energy: -0.204
local terms energy: -76.735209
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -20.407
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: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -223.375269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.375269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.375269 (E_RNA)
where:
Base-Base interactions energy: -144.537
where: short stacking energy: -71.935
Base-Backbone interact. energy: -0.032
local terms energy: -78.806777
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -20.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -215.644981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.644981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.644981 (E_RNA)
where:
Base-Base interactions energy: -141.300
where: short stacking energy: -61.731
Base-Backbone interact. energy: -0.016
local terms energy: -74.329664
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -213.002926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.002926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.002926 (E_RNA)
where:
Base-Base interactions energy: -140.652
where: short stacking energy: -63.004
Base-Backbone interact. energy: -0.284
local terms energy: -72.066992
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -16.794
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: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -198.060552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.060552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.060552 (E_RNA)
where:
Base-Base interactions energy: -130.786
where: short stacking energy: -46.159
Base-Backbone interact. energy: -0.257
local terms energy: -67.017890
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -191.271814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.271814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.271814 (E_RNA)
where:
Base-Base interactions energy: -124.186
where: short stacking energy: -58.366
Base-Backbone interact. energy: -0.318
local terms energy: -66.767352
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -83.863979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.863979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.863979 (E_RNA)
where:
Base-Base interactions energy: -29.209
where: short stacking energy: -29.209
Base-Backbone interact. energy: -1.151
local terms energy: -53.503080
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -96.107337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.107337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.107337 (E_RNA)
where:
Base-Base interactions energy: -45.695
where: short stacking energy: -33.893
Base-Backbone interact. energy: -0.224
local terms energy: -50.188476
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -8.242
flat angles P-C4'-P energy: -7.689
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: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -75.191959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.191959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.191959 (E_RNA)
where:
Base-Base interactions energy: -25.513
where: short stacking energy: -25.813
Base-Backbone interact. energy: -0.048
local terms energy: -49.630960
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -9.080
flat angles P-C4'-P energy: -8.416
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: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -82.607478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.607478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.607478 (E_RNA)
where:
Base-Base interactions energy: -29.034
where: short stacking energy: -29.034
Base-Backbone interact. energy: -0.070
local terms energy: -53.503327
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -7.837
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -7.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -226.399088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.399088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.399088 (E_RNA)
where:
Base-Base interactions energy: -143.873
where: short stacking energy: -65.128
Base-Backbone interact. energy: -0.126
local terms energy: -82.399511
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -20.764
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: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -228.602771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.602771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.602771 (E_RNA)
where:
Base-Base interactions energy: -147.049
where: short stacking energy: -63.722
Base-Backbone interact. energy: -0.748
local terms energy: -80.805581
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -206.339206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.339206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.339206 (E_RNA)
where:
Base-Base interactions energy: -135.782
where: short stacking energy: -68.216
Base-Backbone interact. energy: -0.028
local terms energy: -70.529337
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -197.847312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.847312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.847312 (E_RNA)
where:
Base-Base interactions energy: -131.564
where: short stacking energy: -46.752
Base-Backbone interact. energy: -0.345
local terms energy: -65.938350
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -206.447046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.447046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.447046 (E_RNA)
where:
Base-Base interactions energy: -145.711
where: short stacking energy: -56.506
Base-Backbone interact. energy: -0.008
local terms energy: -60.728074
where:
bonds (distance) C4'-P energy: -8.945
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -181.353677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.353677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.353677 (E_RNA)
where:
Base-Base interactions energy: -124.121
where: short stacking energy: -47.937
Base-Backbone interact. energy: 1.201
local terms energy: -58.434395
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -95.054620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.054620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.054620 (E_RNA)
where:
Base-Base interactions energy: -45.772
where: short stacking energy: -31.841
Base-Backbone interact. energy: -0.205
local terms energy: -49.077857
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -93.650764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.650764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.650764 (E_RNA)
where:
Base-Base interactions energy: -42.446
where: short stacking energy: -34.105
Base-Backbone interact. energy: -0.245
local terms energy: -50.959385
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -75.931665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.931665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.931665 (E_RNA)
where:
Base-Base interactions energy: -24.308
where: short stacking energy: -18.182
Base-Backbone interact. energy: -0.132
local terms energy: -51.491396
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -67.382517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.382517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.382517 (E_RNA)
where:
Base-Base interactions energy: -22.160
where: short stacking energy: -18.661
Base-Backbone interact. energy: -0.130
local terms energy: -45.092517
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: 5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -230.632832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.632832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.632832 (E_RNA)
where:
Base-Base interactions energy: -159.476
where: short stacking energy: -70.556
Base-Backbone interact. energy: -0.589
local terms energy: -70.568618
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -19.167
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: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -219.095366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.095366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.095366 (E_RNA)
where:
Base-Base interactions energy: -144.703
where: short stacking energy: -63.090
Base-Backbone interact. energy: -1.346
local terms energy: -73.046382
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -221.201635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.201635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.201635 (E_RNA)
where:
Base-Base interactions energy: -150.776
where: short stacking energy: -68.575
Base-Backbone interact. energy: -0.930
local terms energy: -69.495407
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -21.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -215.169939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.169939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.169939 (E_RNA)
where:
Base-Base interactions energy: -144.904
where: short stacking energy: -59.356
Base-Backbone interact. energy: 0.700
local terms energy: -70.965737
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -18.483
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: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -183.217628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.217628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.217628 (E_RNA)
where:
Base-Base interactions energy: -119.330
where: short stacking energy: -51.640
Base-Backbone interact. energy: -0.156
local terms energy: -63.731528
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -197.776610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.776610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.776610 (E_RNA)
where:
Base-Base interactions energy: -135.899
where: short stacking energy: -48.910
Base-Backbone interact. energy: -0.017
local terms energy: -61.860529
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -89.342856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.342856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.342856 (E_RNA)
where:
Base-Base interactions energy: -29.541
where: short stacking energy: -29.228
Base-Backbone interact. energy: -0.097
local terms energy: -59.705314
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -86.422225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.422225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.422225 (E_RNA)
where:
Base-Base interactions energy: -30.773
where: short stacking energy: -27.724
Base-Backbone interact. energy: -0.603
local terms energy: -55.046536
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: 0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -75.801982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.801982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.801982 (E_RNA)
where:
Base-Base interactions energy: -24.777
where: short stacking energy: -23.260
Base-Backbone interact. energy: -0.167
local terms energy: -50.857970
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: 0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -83.087518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.087518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.087518 (E_RNA)
where:
Base-Base interactions energy: -41.005
where: short stacking energy: -18.703
Base-Backbone interact. energy: -0.093
local terms energy: -41.989580
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -224.565998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.565998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.565998 (E_RNA)
where:
Base-Base interactions energy: -153.333
where: short stacking energy: -60.390
Base-Backbone interact. energy: -0.025
local terms energy: -71.207436
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -220.871044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.871044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.871044 (E_RNA)
where:
Base-Base interactions energy: -142.296
where: short stacking energy: -65.333
Base-Backbone interact. energy: 1.886
local terms energy: -80.460762
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -206.530660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.530660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.530660 (E_RNA)
where:
Base-Base interactions energy: -132.600
where: short stacking energy: -61.418
Base-Backbone interact. energy: -0.136
local terms energy: -73.794905
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -18.246
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: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -214.002447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.002447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.002447 (E_RNA)
where:
Base-Base interactions energy: -150.769
where: short stacking energy: -68.028
Base-Backbone interact. energy: -0.093
local terms energy: -63.140475
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -186.831630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.831630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.831630 (E_RNA)
where:
Base-Base interactions energy: -113.501
where: short stacking energy: -53.634
Base-Backbone interact. energy: -0.002
local terms energy: -73.328593
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -207.042946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.042946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.042946 (E_RNA)
where:
Base-Base interactions energy: -143.146
where: short stacking energy: -52.968
Base-Backbone interact. energy: -0.018
local terms energy: -63.879228
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -103.664624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.664624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.664624 (E_RNA)
where:
Base-Base interactions energy: -48.618
where: short stacking energy: -34.307
Base-Backbone interact. energy: -0.391
local terms energy: -54.656320
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -81.164578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.164578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.164578 (E_RNA)
where:
Base-Base interactions energy: -22.643
where: short stacking energy: -22.643
Base-Backbone interact. energy: -0.076
local terms energy: -58.445212
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -100.189043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.189043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.189043 (E_RNA)
where:
Base-Base interactions energy: -44.960
where: short stacking energy: -40.898
Base-Backbone interact. energy: 0.644
local terms energy: -55.873490
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -6.324
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: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -78.565660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.565660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.565660 (E_RNA)
where:
Base-Base interactions energy: -24.232
where: short stacking energy: -21.928
Base-Backbone interact. energy: 0.056
local terms energy: -54.389826
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -229.650267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.650267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.650267 (E_RNA)
where:
Base-Base interactions energy: -158.278
where: short stacking energy: -63.206
Base-Backbone interact. energy: -0.859
local terms energy: -70.513727
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -214.269161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.269161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.269161 (E_RNA)
where:
Base-Base interactions energy: -139.371
where: short stacking energy: -54.402
Base-Backbone interact. energy: -0.261
local terms energy: -74.637795
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -17.686
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: 417
Temperature: 1.000000
Total energy: -203.198586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.198586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.198586 (E_RNA)
where:
Base-Base interactions energy: -128.860
where: short stacking energy: -65.304
Base-Backbone interact. energy: 0.185
local terms energy: -74.523321
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -202.255084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.255084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.255084 (E_RNA)
where:
Base-Base interactions energy: -129.206
where: short stacking energy: -62.768
Base-Backbone interact. energy: -0.003
local terms energy: -73.045710
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -211.917714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.917714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.917714 (E_RNA)
where:
Base-Base interactions energy: -145.228
where: short stacking energy: -62.166
Base-Backbone interact. energy: -0.150
local terms energy: -66.539983
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -7.598
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -199.529865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.529865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.529865 (E_RNA)
where:
Base-Base interactions energy: -139.260
where: short stacking energy: -56.358
Base-Backbone interact. energy: -0.075
local terms energy: -60.195333
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -94.486669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.486669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.486669 (E_RNA)
where:
Base-Base interactions energy: -45.699
where: short stacking energy: -30.279
Base-Backbone interact. energy: -0.079
local terms energy: -48.708600
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -85.645463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.645463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.645463 (E_RNA)
where:
Base-Base interactions energy: -30.592
where: short stacking energy: -29.408
Base-Backbone interact. energy: 0.863
local terms energy: -55.916918
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -82.538197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.538197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.538197 (E_RNA)
where:
Base-Base interactions energy: -28.825
where: short stacking energy: -26.090
Base-Backbone interact. energy: -0.542
local terms energy: -53.171110
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: 2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -72.241746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.241746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.241746 (E_RNA)
where:
Base-Base interactions energy: -29.361
where: short stacking energy: -24.038
Base-Backbone interact. energy: -1.637
local terms energy: -41.243897
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: 3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -225.692450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.692450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.692450 (E_RNA)
where:
Base-Base interactions energy: -152.074
where: short stacking energy: -54.973
Base-Backbone interact. energy: -0.248
local terms energy: -73.369825
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -226.879044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.879044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.879044 (E_RNA)
where:
Base-Base interactions energy: -151.795
where: short stacking energy: -60.620
Base-Backbone interact. energy: -0.333
local terms energy: -74.750773
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -199.587621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.587621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.587621 (E_RNA)
where:
Base-Base interactions energy: -126.346
where: short stacking energy: -51.511
Base-Backbone interact. energy: -0.073
local terms energy: -73.168642
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -208.571329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.571329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.571329 (E_RNA)
where:
Base-Base interactions energy: -140.188
where: short stacking energy: -69.001
Base-Backbone interact. energy: -0.394
local terms energy: -67.989671
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -215.977198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.977198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.977198 (E_RNA)
where:
Base-Base interactions energy: -152.265
where: short stacking energy: -63.782
Base-Backbone interact. energy: -0.443
local terms energy: -63.270135
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -15.951
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: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -180.956338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.956338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.956338 (E_RNA)
where:
Base-Base interactions energy: -125.227
where: short stacking energy: -50.305
Base-Backbone interact. energy: -0.713
local terms energy: -55.016120
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -88.357910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.357910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.357910 (E_RNA)
where:
Base-Base interactions energy: -33.679
where: short stacking energy: -33.679
Base-Backbone interact. energy: -0.024
local terms energy: -54.655181
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -83.142056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.142056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.142056 (E_RNA)
where:
Base-Base interactions energy: -30.548
where: short stacking energy: -28.469
Base-Backbone interact. energy: -0.215
local terms energy: -52.378562
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -84.759708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.759708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.759708 (E_RNA)
where:
Base-Base interactions energy: -29.902
where: short stacking energy: -29.902
Base-Backbone interact. energy: -0.088
local terms energy: -54.769421
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -7.049
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -10.789
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: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -74.718360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.718360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.718360 (E_RNA)
where:
Base-Base interactions energy: -30.334
where: short stacking energy: -30.334
Base-Backbone interact. energy: -0.288
local terms energy: -44.096340
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -228.483464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.483464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.483464 (E_RNA)
where:
Base-Base interactions energy: -155.731
where: short stacking energy: -67.937
Base-Backbone interact. energy: -0.683
local terms energy: -72.068884
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -17.679
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: 2, replica: 1
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -212.390236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.390236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.390236 (E_RNA)
where:
Base-Base interactions energy: -139.051
where: short stacking energy: -68.894
Base-Backbone interact. energy: -0.000
local terms energy: -73.338641
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -19.854
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: 419
Temperature: 1.000000
Total energy: -192.696045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.696045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.696045 (E_RNA)
where:
Base-Base interactions energy: -122.630
where: short stacking energy: -60.395
Base-Backbone interact. energy: -0.003
local terms energy: -70.063579
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -203.321466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.321466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.321466 (E_RNA)
where:
Base-Base interactions energy: -134.767
where: short stacking energy: -55.188
Base-Backbone interact. energy: -1.286
local terms energy: -67.269085
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -15.260
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: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -198.158482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.158482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.158482 (E_RNA)
where:
Base-Base interactions energy: -131.363
where: short stacking energy: -57.071
Base-Backbone interact. energy: -0.048
local terms energy: -66.747457
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -189.152646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.152646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.152646 (E_RNA)
where:
Base-Base interactions energy: -125.274
where: short stacking energy: -51.737
Base-Backbone interact. energy: -0.327
local terms energy: -63.551444
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -92.009773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.009773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.009773 (E_RNA)
where:
Base-Base interactions energy: -37.734
where: short stacking energy: -28.874
Base-Backbone interact. energy: -0.104
local terms energy: -54.172692
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -85.550193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.550193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.550193 (E_RNA)
where:
Base-Base interactions energy: -29.328
where: short stacking energy: -29.328
Base-Backbone interact. energy: -0.100
local terms energy: -56.121952
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -10.041
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -12.915
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: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -77.118066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.118066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.118066 (E_RNA)
where:
Base-Base interactions energy: -28.451
where: short stacking energy: -27.495
Base-Backbone interact. energy: -0.157
local terms energy: -48.509550
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -71.053512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.053512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.053512 (E_RNA)
where:
Base-Base interactions energy: -23.009
where: short stacking energy: -23.009
Base-Backbone interact. energy: -0.215
local terms energy: -47.828869
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: 0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -232.380849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.380849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.380849 (E_RNA)
where:
Base-Base interactions energy: -158.248
where: short stacking energy: -66.947
Base-Backbone interact. energy: -0.101
local terms energy: -74.031437
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -222.078093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.078093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.078093 (E_RNA)
where:
Base-Base interactions energy: -144.440
where: short stacking energy: -58.256
Base-Backbone interact. energy: -0.003
local terms energy: -77.634714
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -201.259884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.259884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.259884 (E_RNA)
where:
Base-Base interactions energy: -130.245
where: short stacking energy: -54.520
Base-Backbone interact. energy: -0.128
local terms energy: -70.887485
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -12.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -208.986375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.986375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.986375 (E_RNA)
where:
Base-Base interactions energy: -131.667
where: short stacking energy: -64.220
Base-Backbone interact. energy: -0.021
local terms energy: -77.298945
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -19.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -192.105588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.105588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.105588 (E_RNA)
where:
Base-Base interactions energy: -135.596
where: short stacking energy: -46.562
Base-Backbone interact. energy: -0.273
local terms energy: -56.236651
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -9.268
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: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -198.431182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.431182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.431182 (E_RNA)
where:
Base-Base interactions energy: -144.481
where: short stacking energy: -52.940
Base-Backbone interact. energy: -0.084
local terms energy: -53.866540
where:
bonds (distance) C4'-P energy: -5.968
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -2.919
tors. eta vs tors. theta energy: -13.395
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: 7, replica: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -91.932127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.932127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.932127 (E_RNA)
where:
Base-Base interactions energy: -43.539
where: short stacking energy: -27.047
Base-Backbone interact. energy: -0.133
local terms energy: -48.260169
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -9.566
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -76.309487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.309487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.309487 (E_RNA)
where:
Base-Base interactions energy: -27.093
where: short stacking energy: -25.925
Base-Backbone interact. energy: -0.117
local terms energy: -49.099164
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -0.282
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: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -85.137090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.137090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.137090 (E_RNA)
where:
Base-Base interactions energy: -31.456
where: short stacking energy: -27.408
Base-Backbone interact. energy: -0.262
local terms energy: -53.419155
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -7.857
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: 10, replica: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -83.377687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.377687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.377687 (E_RNA)
where:
Base-Base interactions energy: -30.742
where: short stacking energy: -24.869
Base-Backbone interact. energy: -0.224
local terms energy: -52.412350
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -3.353
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: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -222.712142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.712142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.712142 (E_RNA)
where:
Base-Base interactions energy: -145.858
where: short stacking energy: -57.596
Base-Backbone interact. energy: 0.005
local terms energy: -76.859005
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -219.435103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.435103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.435103 (E_RNA)
where:
Base-Base interactions energy: -144.877
where: short stacking energy: -63.570
Base-Backbone interact. energy: -0.240
local terms energy: -74.318002
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -19.654
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: 3, replica: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -213.249084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.249084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.249084 (E_RNA)
where:
Base-Base interactions energy: -146.975
where: short stacking energy: -60.174
Base-Backbone interact. energy: -0.086
local terms energy: -66.188083
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -206.123484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.123484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.123484 (E_RNA)
where:
Base-Base interactions energy: -138.255
where: short stacking energy: -45.424
Base-Backbone interact. energy: -0.045
local terms energy: -67.823386
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -208.818337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.818337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.818337 (E_RNA)
where:
Base-Base interactions energy: -131.878
where: short stacking energy: -60.043
Base-Backbone interact. energy: -0.085
local terms energy: -76.855537
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -19.460
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: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -184.535264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.535264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.535264 (E_RNA)
where:
Base-Base interactions energy: -119.225
where: short stacking energy: -55.272
Base-Backbone interact. energy: -0.096
local terms energy: -65.214848
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -17.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -105.258669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.258669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.258669 (E_RNA)
where:
Base-Base interactions energy: -51.588
where: short stacking energy: -31.748
Base-Backbone interact. energy: -0.236
local terms energy: -53.434518
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -91.932380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.932380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.932380 (E_RNA)
where:
Base-Base interactions energy: -40.741
where: short stacking energy: -40.741
Base-Backbone interact. energy: -0.099
local terms energy: -51.092158
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -4.554
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: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -80.699299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.699299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.699299 (E_RNA)
where:
Base-Base interactions energy: -36.093
where: short stacking energy: -23.941
Base-Backbone interact. energy: -0.150
local terms energy: -44.456248
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -2.540
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -81.905044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.905044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.905044 (E_RNA)
where:
Base-Base interactions energy: -32.044
where: short stacking energy: -27.002
Base-Backbone interact. energy: -0.916
local terms energy: -48.944919
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -9.605
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -8.909
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: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -235.772910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.772910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.772910 (E_RNA)
where:
Base-Base interactions energy: -165.581
where: short stacking energy: -57.322
Base-Backbone interact. energy: -0.081
local terms energy: -70.110613
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -15.870
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: 2, replica: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -217.289090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.289090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.289090 (E_RNA)
where:
Base-Base interactions energy: -139.493
where: short stacking energy: -59.978
Base-Backbone interact. energy: -0.013
local terms energy: -77.783206
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -20.549
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: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -221.410359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.410359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.410359 (E_RNA)
where:
Base-Base interactions energy: -151.557
where: short stacking energy: -62.245
Base-Backbone interact. energy: -0.002
local terms energy: -69.851379
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -194.733748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.733748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.733748 (E_RNA)
where:
Base-Base interactions energy: -125.094
where: short stacking energy: -50.997
Base-Backbone interact. energy: -0.218
local terms energy: -69.422290
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -195.492734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.492734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.492734 (E_RNA)
where:
Base-Base interactions energy: -130.175
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.023
local terms energy: -65.295173
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -12.592
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: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -185.804502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.804502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.804502 (E_RNA)
where:
Base-Base interactions energy: -125.056
where: short stacking energy: -55.244
Base-Backbone interact. energy: -0.004
local terms energy: -60.744751
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -8.991
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -86.574505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.574505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.574505 (E_RNA)
where:
Base-Base interactions energy: -42.004
where: short stacking energy: -38.173
Base-Backbone interact. energy: -0.272
local terms energy: -44.298562
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: 0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -88.553414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.553414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.553414 (E_RNA)
where:
Base-Base interactions energy: -41.721
where: short stacking energy: -26.386
Base-Backbone interact. energy: -0.740
local terms energy: -46.092944
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -6.201
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: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -90.169301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.169301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.169301 (E_RNA)
where:
Base-Base interactions energy: -37.604
where: short stacking energy: -16.946
Base-Backbone interact. energy: -0.370
local terms energy: -52.195120
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -88.059865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.059865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.059865 (E_RNA)
where:
Base-Base interactions energy: -54.772
where: short stacking energy: -20.008
Base-Backbone interact. energy: 0.290
local terms energy: -33.577562
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -2.596
tors. eta vs tors. theta energy: 2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -234.124005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.124005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.124005 (E_RNA)
where:
Base-Base interactions energy: -154.623
where: short stacking energy: -58.486
Base-Backbone interact. energy: -0.013
local terms energy: -79.487839
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -215.147219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.147219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.147219 (E_RNA)
where:
Base-Base interactions energy: -141.008
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.153
local terms energy: -73.986295
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -210.527350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.527350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.527350 (E_RNA)
where:
Base-Base interactions energy: -134.724
where: short stacking energy: -61.897
Base-Backbone interact. energy: -0.047
local terms energy: -75.756411
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -18.972
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: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -213.433845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.433845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.433845 (E_RNA)
where:
Base-Base interactions energy: -152.441
where: short stacking energy: -53.853
Base-Backbone interact. energy: -0.246
local terms energy: -60.746506
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -13.854
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: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -203.797336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.797336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.797336 (E_RNA)
where:
Base-Base interactions energy: -134.124
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.013
local terms energy: -69.660676
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -189.681344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.681344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.681344 (E_RNA)
where:
Base-Base interactions energy: -131.530
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.370
local terms energy: -57.781334
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -4.086
tors. eta vs tors. theta energy: -12.494
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: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -95.262884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.262884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.262884 (E_RNA)
where:
Base-Base interactions energy: -36.716
where: short stacking energy: -26.255
Base-Backbone interact. energy: -0.324
local terms energy: -58.222760
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -12.783
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: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -80.898988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.898988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.898988 (E_RNA)
where:
Base-Base interactions energy: -30.641
where: short stacking energy: -24.352
Base-Backbone interact. energy: 0.270
local terms energy: -50.528024
where:
bonds (distance) C4'-P energy: -8.577
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -5.707
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: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -79.905682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.905682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.905682 (E_RNA)
where:
Base-Base interactions energy: -33.342
where: short stacking energy: -23.582
Base-Backbone interact. energy: -0.252
local terms energy: -46.311554
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -11.755
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: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -101.109274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.109274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.109274 (E_RNA)
where:
Base-Base interactions energy: -47.882
where: short stacking energy: -24.753
Base-Backbone interact. energy: -0.133
local terms energy: -53.094732
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -227.404477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.404477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.404477 (E_RNA)
where:
Base-Base interactions energy: -155.714
where: short stacking energy: -71.476
Base-Backbone interact. energy: 0.607
local terms energy: -72.297955
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -217.440240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.440240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.440240 (E_RNA)
where:
Base-Base interactions energy: -150.884
where: short stacking energy: -53.250
Base-Backbone interact. energy: 2.335
local terms energy: -68.891350
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -211.623113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.623113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.623113 (E_RNA)
where:
Base-Base interactions energy: -140.784
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.593
local terms energy: -70.245682
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -203.993416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.993416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.993416 (E_RNA)
where:
Base-Base interactions energy: -135.435
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.116
local terms energy: -68.442430
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -18.690
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: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -189.886365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.886365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.886365 (E_RNA)
where:
Base-Base interactions energy: -128.136
where: short stacking energy: -50.188
Base-Backbone interact. energy: -0.007
local terms energy: -61.743064
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -10.918
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: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -188.576589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.576589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.576589 (E_RNA)
where:
Base-Base interactions energy: -123.383
where: short stacking energy: -50.583
Base-Backbone interact. energy: -0.162
local terms energy: -65.031632
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -91.835979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.835979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.835979 (E_RNA)
where:
Base-Base interactions energy: -34.319
where: short stacking energy: -22.492
Base-Backbone interact. energy: -0.054
local terms energy: -57.462985
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -8.410
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: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -85.543557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.543557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.543557 (E_RNA)
where:
Base-Base interactions energy: -39.829
where: short stacking energy: -19.608
Base-Backbone interact. energy: -0.258
local terms energy: -45.456576
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -105.985947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.985947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.985947 (E_RNA)
where:
Base-Base interactions energy: -50.713
where: short stacking energy: -32.196
Base-Backbone interact. energy: -0.080
local terms energy: -55.192322
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -9.964
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: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -80.817866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.817866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.817866 (E_RNA)
where:
Base-Base interactions energy: -29.871
where: short stacking energy: -26.355
Base-Backbone interact. energy: -0.831
local terms energy: -50.116443
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -2.219
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -223.409672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.409672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.409672 (E_RNA)
where:
Base-Base interactions energy: -144.607
where: short stacking energy: -63.827
Base-Backbone interact. energy: -1.082
local terms energy: -77.720676
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -211.291280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.291280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.291280 (E_RNA)
where:
Base-Base interactions energy: -136.828
where: short stacking energy: -54.908
Base-Backbone interact. energy: -0.003
local terms energy: -74.460904
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -222.754311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.754311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.754311 (E_RNA)
where:
Base-Base interactions energy: -154.695
where: short stacking energy: -62.287
Base-Backbone interact. energy: -0.076
local terms energy: -67.983149
where:
bonds (distance) C4'-P energy: -8.283
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -193.189715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.189715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.189715 (E_RNA)
where:
Base-Base interactions energy: -131.648
where: short stacking energy: -55.195
Base-Backbone interact. energy: -0.094
local terms energy: -61.447269
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -2.599
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -183.087127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.087127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.087127 (E_RNA)
where:
Base-Base interactions energy: -120.269
where: short stacking energy: -43.243
Base-Backbone interact. energy: -0.154
local terms energy: -62.664267
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -10.523
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: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -168.419427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.419427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.419427 (E_RNA)
where:
Base-Base interactions energy: -119.319
where: short stacking energy: -48.735
Base-Backbone interact. energy: -0.561
local terms energy: -48.539922
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -2.725
tors. eta vs tors. theta energy: -10.103
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: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -101.697130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.697130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.697130 (E_RNA)
where:
Base-Base interactions energy: -47.161
where: short stacking energy: -25.616
Base-Backbone interact. energy: -0.101
local terms energy: -54.434815
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -85.426409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.426409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.426409 (E_RNA)
where:
Base-Base interactions energy: -38.205
where: short stacking energy: -28.792
Base-Backbone interact. energy: -0.119
local terms energy: -47.102277
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -75.120293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.120293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.120293 (E_RNA)
where:
Base-Base interactions energy: -29.132
where: short stacking energy: -26.611
Base-Backbone interact. energy: -0.016
local terms energy: -45.972263
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -3.778
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: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -81.686764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.686764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.686764 (E_RNA)
where:
Base-Base interactions energy: -27.399
where: short stacking energy: -26.262
Base-Backbone interact. energy: -0.009
local terms energy: -54.278416
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -215.257711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.257711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.257711 (E_RNA)
where:
Base-Base interactions energy: -136.463
where: short stacking energy: -66.200
Base-Backbone interact. energy: -0.819
local terms energy: -77.976226
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -19.222
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: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -222.905704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.905704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.905704 (E_RNA)
where:
Base-Base interactions energy: -146.358
where: short stacking energy: -66.592
Base-Backbone interact. energy: -0.018
local terms energy: -76.529087
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -18.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -221.450676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.450676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.450676 (E_RNA)
where:
Base-Base interactions energy: -150.763
where: short stacking energy: -61.073
Base-Backbone interact. energy: 0.201
local terms energy: -70.888689
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -221.412791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.412791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.412791 (E_RNA)
where:
Base-Base interactions energy: -149.175
where: short stacking energy: -49.996
Base-Backbone interact. energy: -0.919
local terms energy: -71.319171
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -190.779256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.779256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.779256 (E_RNA)
where:
Base-Base interactions energy: -125.676
where: short stacking energy: -49.898
Base-Backbone interact. energy: 0.134
local terms energy: -65.237287
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -11.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -194.656142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.656142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.656142 (E_RNA)
where:
Base-Base interactions energy: -134.090
where: short stacking energy: -57.561
Base-Backbone interact. energy: -0.086
local terms energy: -60.480471
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -94.561215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.561215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.561215 (E_RNA)
where:
Base-Base interactions energy: -37.030
where: short stacking energy: -24.966
Base-Backbone interact. energy: -0.464
local terms energy: -57.067308
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -93.884610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.884610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.884610 (E_RNA)
where:
Base-Base interactions energy: -42.014
where: short stacking energy: -33.069
Base-Backbone interact. energy: -0.159
local terms energy: -51.711923
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -9.514
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -7.505
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: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -82.177385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.177385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.177385 (E_RNA)
where:
Base-Base interactions energy: -30.049
where: short stacking energy: -30.049
Base-Backbone interact. energy: -0.167
local terms energy: -51.961308
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -88.020932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.020932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.020932 (E_RNA)
where:
Base-Base interactions energy: -50.003
where: short stacking energy: -17.132
Base-Backbone interact. energy: -0.936
local terms energy: -37.081752
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -7.018
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: 3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -216.742745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.742745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.742745 (E_RNA)
where:
Base-Base interactions energy: -151.535
where: short stacking energy: -61.095
Base-Backbone interact. energy: -0.018
local terms energy: -65.189653
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -215.177815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.177815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.177815 (E_RNA)
where:
Base-Base interactions energy: -138.221
where: short stacking energy: -61.079
Base-Backbone interact. energy: -0.199
local terms energy: -76.758399
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -19.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -206.336107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.336107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.336107 (E_RNA)
where:
Base-Base interactions energy: -136.934
where: short stacking energy: -61.898
Base-Backbone interact. energy: -0.282
local terms energy: -69.120449
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -194.880001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.880001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.880001 (E_RNA)
where:
Base-Base interactions energy: -129.536
where: short stacking energy: -51.176
Base-Backbone interact. energy: -0.144
local terms energy: -65.199979
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -9.861
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -196.528336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.528336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.528336 (E_RNA)
where:
Base-Base interactions energy: -134.245
where: short stacking energy: -43.235
Base-Backbone interact. energy: -0.097
local terms energy: -62.186668
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -185.411015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.411015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.411015 (E_RNA)
where:
Base-Base interactions energy: -122.599
where: short stacking energy: -65.092
Base-Backbone interact. energy: -0.005
local terms energy: -62.807051
where:
bonds (distance) C4'-P energy: -8.208
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -95.640869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.640869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.640869 (E_RNA)
where:
Base-Base interactions energy: -41.644
where: short stacking energy: -27.554
Base-Backbone interact. energy: -0.217
local terms energy: -53.779928
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -7.931
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: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -87.985444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.985444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.985444 (E_RNA)
where:
Base-Base interactions energy: -29.613
where: short stacking energy: -26.145
Base-Backbone interact. energy: 0.031
local terms energy: -58.402708
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -79.307883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.307883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.307883 (E_RNA)
where:
Base-Base interactions energy: -35.679
where: short stacking energy: -23.060
Base-Backbone interact. energy: -0.066
local terms energy: -43.562647
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -1.334
tors. eta vs tors. theta energy: -0.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -81.653906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.653906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.653906 (E_RNA)
where:
Base-Base interactions energy: -35.537
where: short stacking energy: -32.715
Base-Backbone interact. energy: -0.343
local terms energy: -45.773879
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -221.046881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.046881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.046881 (E_RNA)
where:
Base-Base interactions energy: -146.200
where: short stacking energy: -69.181
Base-Backbone interact. energy: -0.067
local terms energy: -74.780184
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -210.698138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.698138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.698138 (E_RNA)
where:
Base-Base interactions energy: -144.028
where: short stacking energy: -60.782
Base-Backbone interact. energy: -0.704
local terms energy: -65.966046
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -199.774517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.774517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.774517 (E_RNA)
where:
Base-Base interactions energy: -128.872
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.080
local terms energy: -70.823293
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -15.124
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: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -201.571439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.571439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.571439 (E_RNA)
where:
Base-Base interactions energy: -128.682
where: short stacking energy: -50.909
Base-Backbone interact. energy: -0.799
local terms energy: -72.091377
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -179.750820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.750820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.750820 (E_RNA)
where:
Base-Base interactions energy: -112.748
where: short stacking energy: -50.410
Base-Backbone interact. energy: -0.065
local terms energy: -66.937560
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -171.893252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.893252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.893252 (E_RNA)
where:
Base-Base interactions energy: -108.884
where: short stacking energy: -49.660
Base-Backbone interact. energy: -0.028
local terms energy: -62.980865
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -88.394283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.394283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.394283 (E_RNA)
where:
Base-Base interactions energy: -26.713
where: short stacking energy: -28.169
Base-Backbone interact. energy: -0.610
local terms energy: -61.070826
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -6.734
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: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -83.856071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.856071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.856071 (E_RNA)
where:
Base-Base interactions energy: -27.958
where: short stacking energy: -27.833
Base-Backbone interact. energy: 0.103
local terms energy: -56.001683
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -4.815
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: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -85.775841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.775841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.775841 (E_RNA)
where:
Base-Base interactions energy: -30.451
where: short stacking energy: -21.170
Base-Backbone interact. energy: -0.095
local terms energy: -55.230012
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -84.319354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.319354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.319354 (E_RNA)
where:
Base-Base interactions energy: -35.473
where: short stacking energy: -31.161
Base-Backbone interact. energy: -0.063
local terms energy: -48.783667
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -8.833
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -231.295883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.295883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.295883 (E_RNA)
where:
Base-Base interactions energy: -153.907
where: short stacking energy: -64.370
Base-Backbone interact. energy: -0.156
local terms energy: -77.232656
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -219.659312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.659312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.659312 (E_RNA)
where:
Base-Base interactions energy: -148.055
where: short stacking energy: -56.775
Base-Backbone interact. energy: -0.292
local terms energy: -71.312030
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -206.380865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.380865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.380865 (E_RNA)
where:
Base-Base interactions energy: -140.747
where: short stacking energy: -45.810
Base-Backbone interact. energy: -0.181
local terms energy: -65.452676
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -209.124523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.124523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.124523 (E_RNA)
where:
Base-Base interactions energy: -131.593
where: short stacking energy: -52.848
Base-Backbone interact. energy: -0.175
local terms energy: -77.355879
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -184.182055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.182055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.182055 (E_RNA)
where:
Base-Base interactions energy: -130.456
where: short stacking energy: -41.482
Base-Backbone interact. energy: -0.144
local terms energy: -53.582226
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -7.560
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -9.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -89.468930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.468930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.468930 (E_RNA)
where:
Base-Base interactions energy: -34.655
where: short stacking energy: -30.636
Base-Backbone interact. energy: -0.003
local terms energy: -54.810665
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.441
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: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -152.807975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.807975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.807975 (E_RNA)
where:
Base-Base interactions energy: -99.909
where: short stacking energy: -43.402
Base-Backbone interact. energy: 0.744
local terms energy: -53.642669
where:
bonds (distance) C4'-P energy: -5.157
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -11.597
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: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -85.886815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.886815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.886815 (E_RNA)
where:
Base-Base interactions energy: -30.423
where: short stacking energy: -26.094
Base-Backbone interact. energy: -0.870
local terms energy: -54.593538
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -6.307
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: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -75.396605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.396605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.396605 (E_RNA)
where:
Base-Base interactions energy: -31.418
where: short stacking energy: -31.372
Base-Backbone interact. energy: -0.760
local terms energy: -43.219338
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -76.687354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.687354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.687354 (E_RNA)
where:
Base-Base interactions energy: -32.356
where: short stacking energy: -23.175
Base-Backbone interact. energy: -0.346
local terms energy: -43.984704
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -226.500463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.500463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.500463 (E_RNA)
where:
Base-Base interactions energy: -151.470
where: short stacking energy: -58.884
Base-Backbone interact. energy: -0.065
local terms energy: -74.966061
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -16.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -227.525422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.525422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.525422 (E_RNA)
where:
Base-Base interactions energy: -152.363
where: short stacking energy: -63.620
Base-Backbone interact. energy: -0.884
local terms energy: -74.277737
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -202.674369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.674369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.674369 (E_RNA)
where:
Base-Base interactions energy: -137.128
where: short stacking energy: -54.674
Base-Backbone interact. energy: -0.183
local terms energy: -65.363627
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -13.123
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: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -199.916884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.916884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.916884 (E_RNA)
where:
Base-Base interactions energy: -130.679
where: short stacking energy: -42.033
Base-Backbone interact. energy: -0.907
local terms energy: -68.330504
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -190.141387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.141387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.141387 (E_RNA)
where:
Base-Base interactions energy: -126.374
where: short stacking energy: -56.058
Base-Backbone interact. energy: -0.072
local terms energy: -63.694879
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -99.985836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.985836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.985836 (E_RNA)
where:
Base-Base interactions energy: -48.185
where: short stacking energy: -34.061
Base-Backbone interact. energy: 1.207
local terms energy: -53.007829
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -10.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -184.703087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.703087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.703087 (E_RNA)
where:
Base-Base interactions energy: -127.819
where: short stacking energy: -41.806
Base-Backbone interact. energy: -0.241
local terms energy: -56.643037
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -10.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -83.877110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.877110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.877110 (E_RNA)
where:
Base-Base interactions energy: -31.461
where: short stacking energy: -21.593
Base-Backbone interact. energy: -0.341
local terms energy: -52.074820
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -12.339
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: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -76.253150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.253150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.253150 (E_RNA)
where:
Base-Base interactions energy: -23.690
where: short stacking energy: -21.440
Base-Backbone interact. energy: -0.165
local terms energy: -52.398099
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -8.522
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -85.292799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.292799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.292799 (E_RNA)
where:
Base-Base interactions energy: -33.137
where: short stacking energy: -33.137
Base-Backbone interact. energy: -0.082
local terms energy: -52.072909
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -8.012
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: 1, replica: 10
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -226.822345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.822345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.822345 (E_RNA)
where:
Base-Base interactions energy: -147.431
where: short stacking energy: -58.455
Base-Backbone interact. energy: -0.170
local terms energy: -79.221330
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -18.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -219.055907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.055907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.055907 (E_RNA)
where:
Base-Base interactions energy: -138.594
where: short stacking energy: -64.343
Base-Backbone interact. energy: -0.470
local terms energy: -79.991751
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -210.938099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.938099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.938099 (E_RNA)
where:
Base-Base interactions energy: -144.975
where: short stacking energy: -63.307
Base-Backbone interact. energy: -0.333
local terms energy: -65.630041
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -206.276080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.276080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.276080 (E_RNA)
where:
Base-Base interactions energy: -132.346
where: short stacking energy: -58.720
Base-Backbone interact. energy: -0.939
local terms energy: -72.991174
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -20.627
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: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -201.285834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.285834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.285834 (E_RNA)
where:
Base-Base interactions energy: -128.983
where: short stacking energy: -52.318
Base-Backbone interact. energy: -0.659
local terms energy: -71.644277
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -172.078587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.078587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.078587 (E_RNA)
where:
Base-Base interactions energy: -117.514
where: short stacking energy: -46.514
Base-Backbone interact. energy: -0.037
local terms energy: -54.527240
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -9.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -95.610260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.610260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.610260 (E_RNA)
where:
Base-Base interactions energy: -42.181
where: short stacking energy: -35.232
Base-Backbone interact. energy: -0.214
local terms energy: -53.215308
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -11.244
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: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -84.024353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.024353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.024353 (E_RNA)
where:
Base-Base interactions energy: -33.553
where: short stacking energy: -29.394
Base-Backbone interact. energy: -0.012
local terms energy: -50.459496
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -100.537994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.537994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.537994 (E_RNA)
where:
Base-Base interactions energy: -43.303
where: short stacking energy: -38.281
Base-Backbone interact. energy: 0.353
local terms energy: -57.588439
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -79.789637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.789637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.789637 (E_RNA)
where:
Base-Base interactions energy: -38.581
where: short stacking energy: -24.668
Base-Backbone interact. energy: -0.206
local terms energy: -41.003018
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: 0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -231.743864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.743864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.743864 (E_RNA)
where:
Base-Base interactions energy: -156.755
where: short stacking energy: -58.674
Base-Backbone interact. energy: -0.027
local terms energy: -74.962380
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -217.655517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.655517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.655517 (E_RNA)
where:
Base-Base interactions energy: -135.060
where: short stacking energy: -62.996
Base-Backbone interact. energy: -0.744
local terms energy: -81.851838
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -203.418608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.418608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.418608 (E_RNA)
where:
Base-Base interactions energy: -134.237
where: short stacking energy: -56.299
Base-Backbone interact. energy: -0.103
local terms energy: -69.078284
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -196.895584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.895584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.895584 (E_RNA)
where:
Base-Base interactions energy: -134.017
where: short stacking energy: -51.274
Base-Backbone interact. energy: -0.475
local terms energy: -62.403594
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -198.946621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.946621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.946621 (E_RNA)
where:
Base-Base interactions energy: -131.691
where: short stacking energy: -58.484
Base-Backbone interact. energy: -0.107
local terms energy: -67.148824
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -178.823770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.823770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.823770 (E_RNA)
where:
Base-Base interactions energy: -107.342
where: short stacking energy: -49.079
Base-Backbone interact. energy: -0.002
local terms energy: -71.479979
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -92.087558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.087558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.087558 (E_RNA)
where:
Base-Base interactions energy: -33.580
where: short stacking energy: -25.829
Base-Backbone interact. energy: -0.143
local terms energy: -58.363970
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: 0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -95.501729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.501729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.501729 (E_RNA)
where:
Base-Base interactions energy: -49.333
where: short stacking energy: -22.357
Base-Backbone interact. energy: -0.481
local terms energy: -45.687956
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -6.439
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -94.099120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.099120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.099120 (E_RNA)
where:
Base-Base interactions energy: -43.938
where: short stacking energy: -32.017
Base-Backbone interact. energy: -0.333
local terms energy: -49.828269
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -7.440
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: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -83.332402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.332402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.332402 (E_RNA)
where:
Base-Base interactions energy: -32.582
where: short stacking energy: -28.360
Base-Backbone interact. energy: -0.022
local terms energy: -50.727887
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -7.710
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -225.115046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.115046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.115046 (E_RNA)
where:
Base-Base interactions energy: -159.905
where: short stacking energy: -53.557
Base-Backbone interact. energy: -0.023
local terms energy: -65.186835
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -16.546
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: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -217.663028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.663028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.663028 (E_RNA)
where:
Base-Base interactions energy: -151.934
where: short stacking energy: -60.211
Base-Backbone interact. energy: -0.002
local terms energy: -65.726489
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -212.814910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.814910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.814910 (E_RNA)
where:
Base-Base interactions energy: -143.603
where: short stacking energy: -61.052
Base-Backbone interact. energy: -0.003
local terms energy: -69.208910
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -202.716536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.716536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.716536 (E_RNA)
where:
Base-Base interactions energy: -129.015
where: short stacking energy: -61.766
Base-Backbone interact. energy: -0.082
local terms energy: -73.619900
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -20.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -201.729623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.729623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.729623 (E_RNA)
where:
Base-Base interactions energy: -132.302
where: short stacking energy: -48.173
Base-Backbone interact. energy: -0.082
local terms energy: -69.346180
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -189.792259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.792259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.792259 (E_RNA)
where:
Base-Base interactions energy: -123.955
where: short stacking energy: -56.882
Base-Backbone interact. energy: -0.005
local terms energy: -65.831642
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -94.562917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.562917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.562917 (E_RNA)
where:
Base-Base interactions energy: -33.940
where: short stacking energy: -31.908
Base-Backbone interact. energy: -0.102
local terms energy: -60.521541
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -11.761
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: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -76.181293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.181293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.181293 (E_RNA)
where:
Base-Base interactions energy: -25.608
where: short stacking energy: -21.474
Base-Backbone interact. energy: -0.139
local terms energy: -50.434497
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -80.680496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.680496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.680496 (E_RNA)
where:
Base-Base interactions energy: -36.766
where: short stacking energy: -26.439
Base-Backbone interact. energy: -0.263
local terms energy: -43.651439
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -6.719
flat angles P-C4'-P energy: -5.253
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: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -84.743063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.743063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.743063 (E_RNA)
where:
Base-Base interactions energy: -31.951
where: short stacking energy: -30.203
Base-Backbone interact. energy: -0.587
local terms energy: -52.205287
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -8.617
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: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -219.082377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.082377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.082377 (E_RNA)
where:
Base-Base interactions energy: -145.847
where: short stacking energy: -52.939
Base-Backbone interact. energy: -0.338
local terms energy: -72.896780
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -16.388
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: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -215.882557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.882557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.882557 (E_RNA)
where:
Base-Base interactions energy: -136.901
where: short stacking energy: -63.136
Base-Backbone interact. energy: -0.472
local terms energy: -78.509267
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -214.261970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.261970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.261970 (E_RNA)
where:
Base-Base interactions energy: -142.410
where: short stacking energy: -62.243
Base-Backbone interact. energy: -0.008
local terms energy: -71.844552
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -202.792886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.792886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.792886 (E_RNA)
where:
Base-Base interactions energy: -128.799
where: short stacking energy: -64.339
Base-Backbone interact. energy: -0.305
local terms energy: -73.689652
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -19.838
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: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -187.032299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.032299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.032299 (E_RNA)
where:
Base-Base interactions energy: -131.114
where: short stacking energy: -45.557
Base-Backbone interact. energy: 0.062
local terms energy: -55.980292
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -8.269
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -171.654577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.654577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.654577 (E_RNA)
where:
Base-Base interactions energy: -115.561
where: short stacking energy: -47.815
Base-Backbone interact. energy: -0.196
local terms energy: -55.897621
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -2.208
tors. eta vs tors. theta energy: -11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -90.567539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.567539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.567539 (E_RNA)
where:
Base-Base interactions energy: -33.235
where: short stacking energy: -33.172
Base-Backbone interact. energy: -0.011
local terms energy: -57.321002
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -4.629
tors. eta vs tors. theta energy: -9.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -89.295820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.295820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.295820 (E_RNA)
where:
Base-Base interactions energy: -35.448
where: short stacking energy: -35.448
Base-Backbone interact. energy: -0.184
local terms energy: -53.664007
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -11.066
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: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -81.015023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.015023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.015023 (E_RNA)
where:
Base-Base interactions energy: -25.014
where: short stacking energy: -23.277
Base-Backbone interact. energy: -0.102
local terms energy: -55.899224
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -8.824
flat angles P-C4'-P energy: -6.752
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: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -83.816532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.816532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.816532 (E_RNA)
where:
Base-Base interactions energy: -26.454
where: short stacking energy: -25.458
Base-Backbone interact. energy: -0.083
local terms energy: -57.279311
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -227.525439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.525439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.525439 (E_RNA)
where:
Base-Base interactions energy: -153.752
where: short stacking energy: -57.938
Base-Backbone interact. energy: -0.097
local terms energy: -73.676538
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -220.567577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.567577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.567577 (E_RNA)
where:
Base-Base interactions energy: -147.758
where: short stacking energy: -61.541
Base-Backbone interact. energy: -0.055
local terms energy: -72.755270
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -201.372913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.372913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.372913 (E_RNA)
where:
Base-Base interactions energy: -125.582
where: short stacking energy: -57.736
Base-Backbone interact. energy: -0.008
local terms energy: -75.783271
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -221.479749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.479749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.479749 (E_RNA)
where:
Base-Base interactions energy: -142.712
where: short stacking energy: -65.239
Base-Backbone interact. energy: -0.071
local terms energy: -78.696248
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -207.674294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.674294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.674294 (E_RNA)
where:
Base-Base interactions energy: -137.045
where: short stacking energy: -59.860
Base-Backbone interact. energy: -0.015
local terms energy: -70.613769
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -179.269508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.269508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.269508 (E_RNA)
where:
Base-Base interactions energy: -112.039
where: short stacking energy: -52.488
Base-Backbone interact. energy: -0.026
local terms energy: -67.204569
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -13.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -92.076370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.076370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.076370 (E_RNA)
where:
Base-Base interactions energy: -40.435
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.145
local terms energy: -51.495522
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -2.437
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: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -87.808071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.808071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.808071 (E_RNA)
where:
Base-Base interactions energy: -33.887
where: short stacking energy: -26.316
Base-Backbone interact. energy: -0.176
local terms energy: -53.745048
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -0.255
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: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -75.483740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.483740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.483740 (E_RNA)
where:
Base-Base interactions energy: -30.476
where: short stacking energy: -30.454
Base-Backbone interact. energy: -0.107
local terms energy: -44.900230
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -3.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -75.670776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.670776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.670776 (E_RNA)
where:
Base-Base interactions energy: -22.563
where: short stacking energy: -22.478
Base-Backbone interact. energy: -0.108
local terms energy: -52.999804
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -222.279402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.279402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.279402 (E_RNA)
where:
Base-Base interactions energy: -147.425
where: short stacking energy: -56.938
Base-Backbone interact. energy: -0.029
local terms energy: -74.825789
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -222.072739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.072739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.072739 (E_RNA)
where:
Base-Base interactions energy: -146.416
where: short stacking energy: -70.782
Base-Backbone interact. energy: -0.152
local terms energy: -75.504591
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -212.713476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.713476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.713476 (E_RNA)
where:
Base-Base interactions energy: -145.078
where: short stacking energy: -65.457
Base-Backbone interact. energy: -0.084
local terms energy: -67.551903
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -207.197916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.197916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.197916 (E_RNA)
where:
Base-Base interactions energy: -137.194
where: short stacking energy: -57.032
Base-Backbone interact. energy: 0.152
local terms energy: -70.156511
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -198.361159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.361159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.361159 (E_RNA)
where:
Base-Base interactions energy: -124.087
where: short stacking energy: -61.848
Base-Backbone interact. energy: -0.075
local terms energy: -74.199764
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -173.798591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.798591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.798591 (E_RNA)
where:
Base-Base interactions energy: -119.228
where: short stacking energy: -42.260
Base-Backbone interact. energy: -0.146
local terms energy: -54.425083
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -89.609068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.609068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.609068 (E_RNA)
where:
Base-Base interactions energy: -33.621
where: short stacking energy: -33.621
Base-Backbone interact. energy: -0.118
local terms energy: -55.869625
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -80.632646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.632646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.632646 (E_RNA)
where:
Base-Base interactions energy: -32.550
where: short stacking energy: -31.680
Base-Backbone interact. energy: -1.481
local terms energy: -46.601647
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -79.112262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.112262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.112262 (E_RNA)
where:
Base-Base interactions energy: -27.905
where: short stacking energy: -23.251
Base-Backbone interact. energy: -0.184
local terms energy: -51.023396
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -5.309
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: 10, replica: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -65.499348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.499348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.499348 (E_RNA)
where:
Base-Base interactions energy: -26.317
where: short stacking energy: -17.238
Base-Backbone interact. energy: -0.291
local terms energy: -38.891562
where:
bonds (distance) C4'-P energy: -7.458
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: 0.726
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: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -222.025070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.025070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.025070 (E_RNA)
where:
Base-Base interactions energy: -142.568
where: short stacking energy: -62.623
Base-Backbone interact. energy: -0.067
local terms energy: -79.390035
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -19.942
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: 2, replica: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -216.167739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.167739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.167739 (E_RNA)
where:
Base-Base interactions energy: -138.592
where: short stacking energy: -55.164
Base-Backbone interact. energy: -0.212
local terms energy: -77.363667
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -216.079921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.079921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.079921 (E_RNA)
where:
Base-Base interactions energy: -138.623
where: short stacking energy: -66.482
Base-Backbone interact. energy: 0.761
local terms energy: -78.217629
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -21.152
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: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -198.510872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.510872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.510872 (E_RNA)
where:
Base-Base interactions energy: -134.854
where: short stacking energy: -51.553
Base-Backbone interact. energy: -0.079
local terms energy: -63.577865
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -5.762
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: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -183.586004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.586004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.586004 (E_RNA)
where:
Base-Base interactions energy: -114.229
where: short stacking energy: -34.376
Base-Backbone interact. energy: -0.920
local terms energy: -68.437630
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -9.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -197.506938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.506938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.506938 (E_RNA)
where:
Base-Base interactions energy: -124.685
where: short stacking energy: -56.739
Base-Backbone interact. energy: -0.006
local terms energy: -72.815941
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -93.421322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.421322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.421322 (E_RNA)
where:
Base-Base interactions energy: -43.772
where: short stacking energy: -38.881
Base-Backbone interact. energy: -0.100
local terms energy: -49.549678
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -8.759
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -82.416811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.416811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.416811 (E_RNA)
where:
Base-Base interactions energy: -31.444
where: short stacking energy: -31.444
Base-Backbone interact. energy: 1.892
local terms energy: -52.865103
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -11.118
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: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -78.684924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.684924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.684924 (E_RNA)
where:
Base-Base interactions energy: -31.608
where: short stacking energy: -22.952
Base-Backbone interact. energy: -0.210
local terms energy: -46.867286
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -5.651
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: 437
Temperature: 1.350000
Total energy: -76.491962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.491962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.491962 (E_RNA)
where:
Base-Base interactions energy: -34.081
where: short stacking energy: -33.901
Base-Backbone interact. energy: -0.237
local terms energy: -42.174501
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -3.327
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: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -235.010433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.010433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.010433 (E_RNA)
where:
Base-Base interactions energy: -155.979
where: short stacking energy: -61.628
Base-Backbone interact. energy: -0.029
local terms energy: -79.001611
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -19.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -214.545977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.545977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.545977 (E_RNA)
where:
Base-Base interactions energy: -147.847
where: short stacking energy: -53.858
Base-Backbone interact. energy: -0.689
local terms energy: -66.010470
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -16.897
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: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -206.635509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.635509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.635509 (E_RNA)
where:
Base-Base interactions energy: -134.878
where: short stacking energy: -58.500
Base-Backbone interact. energy: -0.034
local terms energy: -71.723344
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -214.806980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.806980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.806980 (E_RNA)
where:
Base-Base interactions energy: -140.395
where: short stacking energy: -61.245
Base-Backbone interact. energy: -0.012
local terms energy: -74.400383
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -22.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -199.940295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.940295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.940295 (E_RNA)
where:
Base-Base interactions energy: -128.206
where: short stacking energy: -59.548
Base-Backbone interact. energy: -0.000
local terms energy: -71.734108
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -184.416536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.416536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.416536 (E_RNA)
where:
Base-Base interactions energy: -118.034
where: short stacking energy: -55.425
Base-Backbone interact. energy: -0.019
local terms energy: -66.363844
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -87.282428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.282428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.282428 (E_RNA)
where:
Base-Base interactions energy: -26.074
where: short stacking energy: -26.074
Base-Backbone interact. energy: -0.120
local terms energy: -61.088707
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -9.944
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: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -85.020993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.020993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.020993 (E_RNA)
where:
Base-Base interactions energy: -39.677
where: short stacking energy: -27.423
Base-Backbone interact. energy: -0.067
local terms energy: -45.276767
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -3.102
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: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -74.348016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.348016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.348016 (E_RNA)
where:
Base-Base interactions energy: -26.913
where: short stacking energy: -20.014
Base-Backbone interact. energy: -1.096
local terms energy: -46.339028
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -83.028831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.028831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.028831 (E_RNA)
where:
Base-Base interactions energy: -31.231
where: short stacking energy: -24.553
Base-Backbone interact. energy: -0.228
local terms energy: -51.570314
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -231.202467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.202467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.202467 (E_RNA)
where:
Base-Base interactions energy: -151.409
where: short stacking energy: -57.819
Base-Backbone interact. energy: -0.032
local terms energy: -79.760935
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -224.955467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.955467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.955467 (E_RNA)
where:
Base-Base interactions energy: -154.792
where: short stacking energy: -58.921
Base-Backbone interact. energy: -0.547
local terms energy: -69.616195
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -15.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -208.294485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.294485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.294485 (E_RNA)
where:
Base-Base interactions energy: -143.070
where: short stacking energy: -57.460
Base-Backbone interact. energy: -0.046
local terms energy: -65.178514
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -16.885
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: 439
Temperature: 1.050000
Total energy: -210.044227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.044227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.044227 (E_RNA)
where:
Base-Base interactions energy: -133.656
where: short stacking energy: -60.716
Base-Backbone interact. energy: -0.395
local terms energy: -75.993758
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -190.476663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.476663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.476663 (E_RNA)
where:
Base-Base interactions energy: -119.407
where: short stacking energy: -44.912
Base-Backbone interact. energy: -0.126
local terms energy: -70.943779
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -190.464557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.464557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.464557 (E_RNA)
where:
Base-Base interactions energy: -135.458
where: short stacking energy: -57.367
Base-Backbone interact. energy: -0.017
local terms energy: -54.989293
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -3.386
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -90.760947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.760947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.760947 (E_RNA)
where:
Base-Base interactions energy: -34.458
where: short stacking energy: -25.137
Base-Backbone interact. energy: -1.782
local terms energy: -54.521036
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -8.814
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: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -83.668199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.668199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.668199 (E_RNA)
where:
Base-Base interactions energy: -33.136
where: short stacking energy: -30.409
Base-Backbone interact. energy: -0.078
local terms energy: -50.454445
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -5.315
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: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -79.637380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.637380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.637380 (E_RNA)
where:
Base-Base interactions energy: -38.228
where: short stacking energy: -22.712
Base-Backbone interact. energy: -0.479
local terms energy: -40.929985
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: 0.646
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: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -89.308654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.308654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.308654 (E_RNA)
where:
Base-Base interactions energy: -30.056
where: short stacking energy: -27.157
Base-Backbone interact. energy: 0.238
local terms energy: -59.490483
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -217.267602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.267602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.267602 (E_RNA)
where:
Base-Base interactions energy: -151.288
where: short stacking energy: -57.379
Base-Backbone interact. energy: -0.538
local terms energy: -65.441976
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -212.731076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.731076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.731076 (E_RNA)
where:
Base-Base interactions energy: -140.180
where: short stacking energy: -54.491
Base-Backbone interact. energy: -0.851
local terms energy: -71.699555
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -14.425
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: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -210.578413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.578413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.578413 (E_RNA)
where:
Base-Base interactions energy: -139.840
where: short stacking energy: -60.036
Base-Backbone interact. energy: 0.872
local terms energy: -71.610103
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -202.442944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.442944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.442944 (E_RNA)
where:
Base-Base interactions energy: -129.661
where: short stacking energy: -46.341
Base-Backbone interact. energy: -0.026
local terms energy: -72.756185
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -191.698651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.698651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.698651 (E_RNA)
where:
Base-Base interactions energy: -125.371
where: short stacking energy: -47.452
Base-Backbone interact. energy: -0.096
local terms energy: -66.231824
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -17.319
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: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -190.111942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.111942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.111942 (E_RNA)
where:
Base-Base interactions energy: -117.155
where: short stacking energy: -49.055
Base-Backbone interact. energy: -0.019
local terms energy: -72.937535
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -90.765316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.765316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.765316 (E_RNA)
where:
Base-Base interactions energy: -35.897
where: short stacking energy: -27.977
Base-Backbone interact. energy: 2.048
local terms energy: -56.916297
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -86.653878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.653878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.653878 (E_RNA)
where:
Base-Base interactions energy: -32.245
where: short stacking energy: -34.045
Base-Backbone interact. energy: -0.106
local terms energy: -54.303287
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -7.118
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: 9, replica: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -80.840155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.840155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.840155 (E_RNA)
where:
Base-Base interactions energy: -31.053
where: short stacking energy: -30.197
Base-Backbone interact. energy: -0.142
local terms energy: -49.645515
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -7.853
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: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -75.542222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.542222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.542222 (E_RNA)
where:
Base-Base interactions energy: -29.382
where: short stacking energy: -28.563
Base-Backbone interact. energy: 0.722
local terms energy: -46.882788
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -10.706
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -227.740558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.740558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.740558 (E_RNA)
where:
Base-Base interactions energy: -164.928
where: short stacking energy: -51.109
Base-Backbone interact. energy: -0.411
local terms energy: -62.402096
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -221.106402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.106402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.106402 (E_RNA)
where:
Base-Base interactions energy: -144.192
where: short stacking energy: -60.802
Base-Backbone interact. energy: -0.174
local terms energy: -76.740709
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -15.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -212.413219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.413219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.413219 (E_RNA)
where:
Base-Base interactions energy: -140.243
where: short stacking energy: -55.152
Base-Backbone interact. energy: -1.005
local terms energy: -71.165172
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -201.765177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.765177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.765177 (E_RNA)
where:
Base-Base interactions energy: -137.512
where: short stacking energy: -51.466
Base-Backbone interact. energy: -0.595
local terms energy: -63.658354
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -203.826130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.826130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.826130 (E_RNA)
where:
Base-Base interactions energy: -135.970
where: short stacking energy: -53.310
Base-Backbone interact. energy: -0.010
local terms energy: -67.845968
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -17.139
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: 441
Temperature: 1.150000
Total energy: -202.356298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.356298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.356298 (E_RNA)
where:
Base-Base interactions energy: -131.693
where: short stacking energy: -62.247
Base-Backbone interact. energy: -0.767
local terms energy: -69.896626
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -17.346
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: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -83.682475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.682475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.682475 (E_RNA)
where:
Base-Base interactions energy: -36.863
where: short stacking energy: -36.521
Base-Backbone interact. energy: -0.244
local terms energy: -46.575930
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: -2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -85.413313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.413313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.413313 (E_RNA)
where:
Base-Base interactions energy: -34.201
where: short stacking energy: -33.292
Base-Backbone interact. energy: -0.234
local terms energy: -50.978265
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -0.842
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -74.167001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.167001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.167001 (E_RNA)
where:
Base-Base interactions energy: -32.405
where: short stacking energy: -13.259
Base-Backbone interact. energy: -0.168
local terms energy: -41.593605
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -4.651
tors. eta vs tors. theta energy: 2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -73.259508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.259508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.259508 (E_RNA)
where:
Base-Base interactions energy: -23.017
where: short stacking energy: -23.017
Base-Backbone interact. energy: -0.022
local terms energy: -50.219924
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -223.097484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.097484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.097484 (E_RNA)
where:
Base-Base interactions energy: -144.585
where: short stacking energy: -69.690
Base-Backbone interact. energy: -0.050
local terms energy: -78.462751
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -21.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -213.244910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.244910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.244910 (E_RNA)
where:
Base-Base interactions energy: -148.703
where: short stacking energy: -43.309
Base-Backbone interact. energy: -1.116
local terms energy: -63.425381
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -9.095
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -219.258773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.258773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.258773 (E_RNA)
where:
Base-Base interactions energy: -151.023
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.045
local terms energy: -68.190450
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -216.690756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.690756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.690756 (E_RNA)
where:
Base-Base interactions energy: -142.572
where: short stacking energy: -69.970
Base-Backbone interact. energy: -0.019
local terms energy: -74.099603
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -21.076
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: 5, replica: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -189.896067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.896067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.896067 (E_RNA)
where:
Base-Base interactions energy: -122.865
where: short stacking energy: -50.009
Base-Backbone interact. energy: -0.924
local terms energy: -66.106973
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -205.077463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.077463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.077463 (E_RNA)
where:
Base-Base interactions energy: -142.141
where: short stacking energy: -51.391
Base-Backbone interact. energy: -0.001
local terms energy: -62.934860
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -90.661433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.661433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.661433 (E_RNA)
where:
Base-Base interactions energy: -36.629
where: short stacking energy: -25.376
Base-Backbone interact. energy: -0.412
local terms energy: -53.620162
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -85.265118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.265118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.265118 (E_RNA)
where:
Base-Base interactions energy: -29.627
where: short stacking energy: -18.968
Base-Backbone interact. energy: -0.052
local terms energy: -55.585392
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -7.129
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: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -80.392350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.392350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.392350 (E_RNA)
where:
Base-Base interactions energy: -38.287
where: short stacking energy: -30.707
Base-Backbone interact. energy: -0.783
local terms energy: -41.322385
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -74.341485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.341485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.341485 (E_RNA)
where:
Base-Base interactions energy: -26.831
where: short stacking energy: -25.761
Base-Backbone interact. energy: -0.120
local terms energy: -47.389730
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -226.339442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.339442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.339442 (E_RNA)
where:
Base-Base interactions energy: -152.830
where: short stacking energy: -68.697
Base-Backbone interact. energy: -0.030
local terms energy: -73.479357
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -214.951277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.951277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.951277 (E_RNA)
where:
Base-Base interactions energy: -146.735
where: short stacking energy: -58.257
Base-Backbone interact. energy: 0.535
local terms energy: -68.751040
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -13.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -205.724679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.724679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.724679 (E_RNA)
where:
Base-Base interactions energy: -141.288
where: short stacking energy: -51.500
Base-Backbone interact. energy: -0.198
local terms energy: -64.239271
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -11.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -213.280495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.280495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.280495 (E_RNA)
where:
Base-Base interactions energy: -138.050
where: short stacking energy: -70.981
Base-Backbone interact. energy: -0.686
local terms energy: -74.545263
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -19.830
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: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -190.120392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.120392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.120392 (E_RNA)
where:
Base-Base interactions energy: -123.166
where: short stacking energy: -57.773
Base-Backbone interact. energy: 0.973
local terms energy: -67.927462
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -210.488322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.488322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.488322 (E_RNA)
where:
Base-Base interactions energy: -144.433
where: short stacking energy: -55.157
Base-Backbone interact. energy: -1.591
local terms energy: -64.465005
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -116.389687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.389687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.389687 (E_RNA)
where:
Base-Base interactions energy: -61.022
where: short stacking energy: -48.868
Base-Backbone interact. energy: -0.446
local terms energy: -54.921747
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -6.333
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -12.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -86.308813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.308813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.308813 (E_RNA)
where:
Base-Base interactions energy: -32.087
where: short stacking energy: -31.388
Base-Backbone interact. energy: 0.091
local terms energy: -54.312426
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -80.845802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.845802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.845802 (E_RNA)
where:
Base-Base interactions energy: -16.987
where: short stacking energy: -16.987
Base-Backbone interact. energy: -1.105
local terms energy: -62.754397
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -5.443
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: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -82.607786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.607786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.607786 (E_RNA)
where:
Base-Base interactions energy: -40.369
where: short stacking energy: -35.285
Base-Backbone interact. energy: -0.081
local terms energy: -42.157625
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -224.772026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.772026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.772026 (E_RNA)
where:
Base-Base interactions energy: -151.197
where: short stacking energy: -70.206
Base-Backbone interact. energy: -0.790
local terms energy: -72.784954
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -216.663337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.663337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.663337 (E_RNA)
where:
Base-Base interactions energy: -155.679
where: short stacking energy: -55.279
Base-Backbone interact. energy: -0.060
local terms energy: -60.923579
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -16.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -219.539957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.539957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.539957 (E_RNA)
where:
Base-Base interactions energy: -151.531
where: short stacking energy: -57.810
Base-Backbone interact. energy: -0.099
local terms energy: -67.910121
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -16.940
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: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -207.314138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.314138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.314138 (E_RNA)
where:
Base-Base interactions energy: -137.083
where: short stacking energy: -68.293
Base-Backbone interact. energy: -0.231
local terms energy: -70.000355
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -14.020
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: 444
Temperature: 1.100000
Total energy: -181.395634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.395634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.395634 (E_RNA)
where:
Base-Base interactions energy: -118.598
where: short stacking energy: -50.013
Base-Backbone interact. energy: -0.212
local terms energy: -62.584984
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -15.818
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: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -174.751337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.751337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.751337 (E_RNA)
where:
Base-Base interactions energy: -121.219
where: short stacking energy: -40.318
Base-Backbone interact. energy: -0.121
local terms energy: -53.410608
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -8.416
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: 444
Temperature: 1.200000
Total energy: -132.627247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.627247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.627247 (E_RNA)
where:
Base-Base interactions energy: -72.695
where: short stacking energy: -39.159
Base-Backbone interact. energy: -0.247
local terms energy: -59.684362
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -82.393610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.393610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.393610 (E_RNA)
where:
Base-Base interactions energy: -39.143
where: short stacking energy: -39.143
Base-Backbone interact. energy: -0.031
local terms energy: -43.220007
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -4.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -77.108472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.108472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.108472 (E_RNA)
where:
Base-Base interactions energy: -26.462
where: short stacking energy: -23.136
Base-Backbone interact. energy: -0.244
local terms energy: -50.402437
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -78.300931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.300931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.300931 (E_RNA)
where:
Base-Base interactions energy: -30.166
where: short stacking energy: -29.622
Base-Backbone interact. energy: -0.116
local terms energy: -48.019265
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -4.346
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: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -222.777060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.777060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.777060 (E_RNA)
where:
Base-Base interactions energy: -145.039
where: short stacking energy: -65.726
Base-Backbone interact. energy: 0.417
local terms energy: -78.155481
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -20.433
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: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -220.271916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.271916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.271916 (E_RNA)
where:
Base-Base interactions energy: -147.890
where: short stacking energy: -69.098
Base-Backbone interact. energy: -0.090
local terms energy: -72.291592
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -208.319306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.319306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.319306 (E_RNA)
where:
Base-Base interactions energy: -135.380
where: short stacking energy: -60.024
Base-Backbone interact. energy: -0.601
local terms energy: -72.339052
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -16.720
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: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -202.509431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.509431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.509431 (E_RNA)
where:
Base-Base interactions energy: -124.536
where: short stacking energy: -55.682
Base-Backbone interact. energy: -1.205
local terms energy: -76.768457
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -19.352
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: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -185.831046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.831046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.831046 (E_RNA)
where:
Base-Base interactions energy: -118.797
where: short stacking energy: -45.937
Base-Backbone interact. energy: -0.298
local terms energy: -66.736813
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -11.237
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: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -186.177099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.177099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.177099 (E_RNA)
where:
Base-Base interactions energy: -122.561
where: short stacking energy: -42.487
Base-Backbone interact. energy: -0.377
local terms energy: -63.239622
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -13.177
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: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -130.046921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.046921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.046921 (E_RNA)
where:
Base-Base interactions energy: -78.308
where: short stacking energy: -33.085
Base-Backbone interact. energy: -0.182
local terms energy: -51.557532
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -79.433656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.433656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.433656 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -27.051
Base-Backbone interact. energy: -0.630
local terms energy: -48.355258
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -1.827
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: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -77.792763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.792763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.792763 (E_RNA)
where:
Base-Base interactions energy: -33.072
where: short stacking energy: -23.326
Base-Backbone interact. energy: 1.591
local terms energy: -46.311314
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: 1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -73.765142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.765142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.765142 (E_RNA)
where:
Base-Base interactions energy: -28.345
where: short stacking energy: -27.977
Base-Backbone interact. energy: -0.748
local terms energy: -44.671905
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -2.521
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -222.091759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.091759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.091759 (E_RNA)
where:
Base-Base interactions energy: -138.989
where: short stacking energy: -67.643
Base-Backbone interact. energy: -0.001
local terms energy: -83.101128
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -226.855326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.855326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.855326 (E_RNA)
where:
Base-Base interactions energy: -154.162
where: short stacking energy: -64.796
Base-Backbone interact. energy: 0.085
local terms energy: -72.778794
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -212.003403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.003403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.003403 (E_RNA)
where:
Base-Base interactions energy: -136.914
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.216
local terms energy: -74.873088
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -21.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -201.620441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.620441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.620441 (E_RNA)
where:
Base-Base interactions energy: -141.117
where: short stacking energy: -54.063
Base-Backbone interact. energy: -0.351
local terms energy: -60.152456
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -17.320
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: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -190.485604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.485604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.485604 (E_RNA)
where:
Base-Base interactions energy: -125.144
where: short stacking energy: -47.558
Base-Backbone interact. energy: -0.127
local terms energy: -65.215143
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -170.246409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.246409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.246409 (E_RNA)
where:
Base-Base interactions energy: -112.930
where: short stacking energy: -45.618
Base-Backbone interact. energy: 0.670
local terms energy: -57.986683
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -155.414537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.414537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.414537 (E_RNA)
where:
Base-Base interactions energy: -99.795
where: short stacking energy: -51.892
Base-Backbone interact. energy: -0.069
local terms energy: -55.550910
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -4.030
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -82.805383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.805383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.805383 (E_RNA)
where:
Base-Base interactions energy: -33.525
where: short stacking energy: -29.421
Base-Backbone interact. energy: -0.436
local terms energy: -48.844520
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -93.624785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.624785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.624785 (E_RNA)
where:
Base-Base interactions energy: -53.684
where: short stacking energy: -23.867
Base-Backbone interact. energy: -0.258
local terms energy: -39.682439
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -77.476457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.476457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.476457 (E_RNA)
where:
Base-Base interactions energy: -31.604
where: short stacking energy: -25.345
Base-Backbone interact. energy: -0.143
local terms energy: -45.729552
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: 0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -221.938596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.938596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.938596 (E_RNA)
where:
Base-Base interactions energy: -152.666
where: short stacking energy: -64.794
Base-Backbone interact. energy: -0.297
local terms energy: -68.976031
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -208.964857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.964857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.964857 (E_RNA)
where:
Base-Base interactions energy: -140.949
where: short stacking energy: -56.088
Base-Backbone interact. energy: -0.165
local terms energy: -67.850191
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -13.774
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: 447
Temperature: 1.000000
Total energy: -218.781310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.781310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.781310 (E_RNA)
where:
Base-Base interactions energy: -141.499
where: short stacking energy: -59.022
Base-Backbone interact. energy: -0.007
local terms energy: -77.275393
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -199.279516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.279516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.279516 (E_RNA)
where:
Base-Base interactions energy: -125.480
where: short stacking energy: -67.769
Base-Backbone interact. energy: -0.065
local terms energy: -73.734196
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -190.008609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.008609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.008609 (E_RNA)
where:
Base-Base interactions energy: -133.969
where: short stacking energy: -47.735
Base-Backbone interact. energy: -0.008
local terms energy: -56.030988
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -8.287
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -165.238847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.238847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.238847 (E_RNA)
where:
Base-Base interactions energy: -102.827
where: short stacking energy: -50.904
Base-Backbone interact. energy: -0.200
local terms energy: -62.212166
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -149.294793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.294793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.294793 (E_RNA)
where:
Base-Base interactions energy: -93.200
where: short stacking energy: -40.835
Base-Backbone interact. energy: -0.477
local terms energy: -55.618123
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -12.932
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: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -102.012129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.012129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.012129 (E_RNA)
where:
Base-Base interactions energy: -61.710
where: short stacking energy: -25.476
Base-Backbone interact. energy: -0.033
local terms energy: -40.269497
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -88.067965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.067965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.067965 (E_RNA)
where:
Base-Base interactions energy: -46.300
where: short stacking energy: -27.580
Base-Backbone interact. energy: -0.206
local terms energy: -41.561876
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: -0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -84.307279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.307279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.307279 (E_RNA)
where:
Base-Base interactions energy: -43.921
where: short stacking energy: -20.477
Base-Backbone interact. energy: -0.156
local terms energy: -40.230676
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: 3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -224.707843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.707843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.707843 (E_RNA)
where:
Base-Base interactions energy: -145.456
where: short stacking energy: -72.038
Base-Backbone interact. energy: -1.054
local terms energy: -78.197643
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -20.492
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: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -219.462596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.462596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.462596 (E_RNA)
where:
Base-Base interactions energy: -147.656
where: short stacking energy: -58.407
Base-Backbone interact. energy: -0.747
local terms energy: -71.060470
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -210.686597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.686597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.686597 (E_RNA)
where:
Base-Base interactions energy: -145.961
where: short stacking energy: -56.455
Base-Backbone interact. energy: -0.594
local terms energy: -64.131515
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -208.330105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.330105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.330105 (E_RNA)
where:
Base-Base interactions energy: -135.870
where: short stacking energy: -61.922
Base-Backbone interact. energy: -0.001
local terms energy: -72.459536
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -7.570
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -194.217502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.217502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.217502 (E_RNA)
where:
Base-Base interactions energy: -133.573
where: short stacking energy: -54.196
Base-Backbone interact. energy: -0.069
local terms energy: -60.575979
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -156.259985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.259985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.259985 (E_RNA)
where:
Base-Base interactions energy: -107.015
where: short stacking energy: -44.325
Base-Backbone interact. energy: -0.052
local terms energy: -49.193124
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -1.824
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -131.595040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.595040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.595040 (E_RNA)
where:
Base-Base interactions energy: -71.895
where: short stacking energy: -29.464
Base-Backbone interact. energy: -0.112
local terms energy: -59.588602
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -79.040401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.040401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.040401 (E_RNA)
where:
Base-Base interactions energy: -32.777
where: short stacking energy: -28.699
Base-Backbone interact. energy: 0.809
local terms energy: -47.072305
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: 0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -89.484321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.484321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.484321 (E_RNA)
where:
Base-Base interactions energy: -33.367
where: short stacking energy: -33.367
Base-Backbone interact. energy: -0.002
local terms energy: -56.115828
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -81.314448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.314448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.314448 (E_RNA)
where:
Base-Base interactions energy: -31.389
where: short stacking energy: -31.389
Base-Backbone interact. energy: -1.087
local terms energy: -48.838806
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -3.687
tors. eta vs tors. theta energy: -3.267
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: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -221.454230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.454230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.454230 (E_RNA)
where:
Base-Base interactions energy: -139.220
where: short stacking energy: -68.956
Base-Backbone interact. energy: -2.059
local terms energy: -80.174863
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -219.205056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.205056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.205056 (E_RNA)
where:
Base-Base interactions energy: -148.630
where: short stacking energy: -55.797
Base-Backbone interact. energy: -0.784
local terms energy: -69.791708
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -209.854976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.854976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.854976 (E_RNA)
where:
Base-Base interactions energy: -134.332
where: short stacking energy: -55.526
Base-Backbone interact. energy: -0.871
local terms energy: -74.652144
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -20.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -190.966657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.966657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.966657 (E_RNA)
where:
Base-Base interactions energy: -128.113
where: short stacking energy: -57.566
Base-Backbone interact. energy: -0.024
local terms energy: -62.829155
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -10.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -193.277210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.277210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.277210 (E_RNA)
where:
Base-Base interactions energy: -128.956
where: short stacking energy: -64.220
Base-Backbone interact. energy: 0.340
local terms energy: -64.660567
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -10.170
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -147.850621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.850621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.850621 (E_RNA)
where:
Base-Base interactions energy: -99.873
where: short stacking energy: -45.583
Base-Backbone interact. energy: 0.915
local terms energy: -48.892190
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -7.865
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -9.276
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: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -91.966866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.966866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.966866 (E_RNA)
where:
Base-Base interactions energy: -34.950
where: short stacking energy: -34.950
Base-Backbone interact. energy: -0.015
local terms energy: -57.001455
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -12.284
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: 8, replica: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -83.130654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.130654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.130654 (E_RNA)
where:
Base-Base interactions energy: -37.573
where: short stacking energy: -37.573
Base-Backbone interact. energy: -0.276
local terms energy: -45.281659
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -6.979
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: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -87.856517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.856517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.856517 (E_RNA)
where:
Base-Base interactions energy: -38.776
where: short stacking energy: -37.296
Base-Backbone interact. energy: -2.281
local terms energy: -46.799628
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -10.335
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: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -71.773340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.773340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.773340 (E_RNA)
where:
Base-Base interactions energy: -23.693
where: short stacking energy: -23.693
Base-Backbone interact. energy: -0.038
local terms energy: -48.042549
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -223.309206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.309206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.309206 (E_RNA)
where:
Base-Base interactions energy: -143.747
where: short stacking energy: -64.252
Base-Backbone interact. energy: -0.906
local terms energy: -78.656012
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -20.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -226.223511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.223511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.223511 (E_RNA)
where:
Base-Base interactions energy: -159.625
where: short stacking energy: -55.574
Base-Backbone interact. energy: -0.313
local terms energy: -66.285425
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -220.172527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.172527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.172527 (E_RNA)
where:
Base-Base interactions energy: -144.904
where: short stacking energy: -60.187
Base-Backbone interact. energy: -0.005
local terms energy: -75.263514
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -200.497394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.497394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.497394 (E_RNA)
where:
Base-Base interactions energy: -132.404
where: short stacking energy: -56.886
Base-Backbone interact. energy: -0.184
local terms energy: -67.909289
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -141.246450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.246450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.246450 (E_RNA)
where:
Base-Base interactions energy: -85.787
where: short stacking energy: -50.817
Base-Backbone interact. energy: -0.246
local terms energy: -55.213579
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -169.332505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.332505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.332505 (E_RNA)
where:
Base-Base interactions energy: -116.180
where: short stacking energy: -60.200
Base-Backbone interact. energy: -0.064
local terms energy: -53.087969
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -95.180907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.180907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.180907 (E_RNA)
where:
Base-Base interactions energy: -38.939
where: short stacking energy: -38.939
Base-Backbone interact. energy: -0.301
local terms energy: -55.940285
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -87.744042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.744042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.744042 (E_RNA)
where:
Base-Base interactions energy: -29.316
where: short stacking energy: -22.225
Base-Backbone interact. energy: -0.465
local terms energy: -57.963428
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -77.842237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.842237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.842237 (E_RNA)
where:
Base-Base interactions energy: -30.659
where: short stacking energy: -30.659
Base-Backbone interact. energy: -0.106
local terms energy: -47.077561
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -81.547425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.547425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.547425 (E_RNA)
where:
Base-Base interactions energy: -27.024
where: short stacking energy: -25.787
Base-Backbone interact. energy: -0.152
local terms energy: -54.371441
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -6.039
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: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -228.468642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.468642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.468642 (E_RNA)
where:
Base-Base interactions energy: -156.063
where: short stacking energy: -64.072
Base-Backbone interact. energy: -0.261
local terms energy: -72.144942
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -229.036753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.036753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.036753 (E_RNA)
where:
Base-Base interactions energy: -155.331
where: short stacking energy: -61.550
Base-Backbone interact. energy: -1.037
local terms energy: -72.668889
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -13.488
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: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -221.298875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.298875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.298875 (E_RNA)
where:
Base-Base interactions energy: -147.416
where: short stacking energy: -67.138
Base-Backbone interact. energy: -0.030
local terms energy: -73.851925
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -146.666838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.666838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.666838 (E_RNA)
where:
Base-Base interactions energy: -86.607
where: short stacking energy: -50.588
Base-Backbone interact. energy: -0.174
local terms energy: -59.884915
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -10.229
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: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -185.213621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.213621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.213621 (E_RNA)
where:
Base-Base interactions energy: -119.890
where: short stacking energy: -52.563
Base-Backbone interact. energy: -0.835
local terms energy: -64.488628
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -159.668506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.668506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.668506 (E_RNA)
where:
Base-Base interactions energy: -97.636
where: short stacking energy: -40.347
Base-Backbone interact. energy: -0.494
local terms energy: -61.538653
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -10.775
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: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -93.041878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.041878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.041878 (E_RNA)
where:
Base-Base interactions energy: -39.803
where: short stacking energy: -25.820
Base-Backbone interact. energy: -0.509
local terms energy: -52.730271
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -93.637214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.637214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.637214 (E_RNA)
where:
Base-Base interactions energy: -35.965
where: short stacking energy: -35.605
Base-Backbone interact. energy: -0.045
local terms energy: -57.627210
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -90.813879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.813879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.813879 (E_RNA)
where:
Base-Base interactions energy: -37.847
where: short stacking energy: -34.295
Base-Backbone interact. energy: -0.018
local terms energy: -52.948931
where:
bonds (distance) C4'-P energy: -8.302
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -7.495
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: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -78.468269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.468269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.468269 (E_RNA)
where:
Base-Base interactions energy: -28.951
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.141
local terms energy: -49.376091
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -232.892338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.892338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.892338 (E_RNA)
where:
Base-Base interactions energy: -159.869
where: short stacking energy: -67.548
Base-Backbone interact. energy: -0.082
local terms energy: -72.941033
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -216.111237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.111237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.111237 (E_RNA)
where:
Base-Base interactions energy: -147.162
where: short stacking energy: -60.247
Base-Backbone interact. energy: -0.792
local terms energy: -68.157891
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -215.783798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.783798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.783798 (E_RNA)
where:
Base-Base interactions energy: -146.989
where: short stacking energy: -70.321
Base-Backbone interact. energy: -0.283
local terms energy: -68.511701
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -150.388904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.388904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.388904 (E_RNA)
where:
Base-Base interactions energy: -83.787
where: short stacking energy: -28.452
Base-Backbone interact. energy: -0.705
local terms energy: -65.896516
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -198.581928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.581928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.581928 (E_RNA)
where:
Base-Base interactions energy: -138.492
where: short stacking energy: -53.731
Base-Backbone interact. energy: -0.040
local terms energy: -60.049718
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -11.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -155.038648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.038648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.038648 (E_RNA)
where:
Base-Base interactions energy: -90.719
where: short stacking energy: -43.422
Base-Backbone interact. energy: -0.243
local terms energy: -64.076702
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -13.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -111.244792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.244792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.244792 (E_RNA)
where:
Base-Base interactions energy: -61.306
where: short stacking energy: -32.259
Base-Backbone interact. energy: -0.631
local terms energy: -49.308028
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -82.652373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.652373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.652373 (E_RNA)
where:
Base-Base interactions energy: -28.187
where: short stacking energy: -24.352
Base-Backbone interact. energy: 1.628
local terms energy: -56.093019
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -4.908
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: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -86.456301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.456301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.456301 (E_RNA)
where:
Base-Base interactions energy: -34.193
where: short stacking energy: -29.361
Base-Backbone interact. energy: -0.237
local terms energy: -52.025898
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -72.000546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.000546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.000546 (E_RNA)
where:
Base-Base interactions energy: -31.871
where: short stacking energy: -27.465
Base-Backbone interact. energy: -0.260
local terms energy: -39.870334
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -230.836125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.836125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.836125 (E_RNA)
where:
Base-Base interactions energy: -155.886
where: short stacking energy: -62.034
Base-Backbone interact. energy: -0.634
local terms energy: -74.316329
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -18.109
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: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -223.296862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.296862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.296862 (E_RNA)
where:
Base-Base interactions energy: -142.418
where: short stacking energy: -67.496
Base-Backbone interact. energy: -0.003
local terms energy: -80.876244
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -22.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -211.130808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.130808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.130808 (E_RNA)
where:
Base-Base interactions energy: -141.420
where: short stacking energy: -55.943
Base-Backbone interact. energy: -0.795
local terms energy: -68.915831
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -207.403427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.403427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.403427 (E_RNA)
where:
Base-Base interactions energy: -136.816
where: short stacking energy: -54.788
Base-Backbone interact. energy: -2.066
local terms energy: -68.521549
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -176.012434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.012434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.012434 (E_RNA)
where:
Base-Base interactions energy: -116.696
where: short stacking energy: -60.895
Base-Backbone interact. energy: -0.187
local terms energy: -59.129761
where:
bonds (distance) C4'-P energy: -9.310
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -14.176
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: 6, replica: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -148.622066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.622066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.622066 (E_RNA)
where:
Base-Base interactions energy: -92.148
where: short stacking energy: -45.515
Base-Backbone interact. energy: -0.875
local terms energy: -55.599869
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -3.178
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: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -104.206737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.206737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.206737 (E_RNA)
where:
Base-Base interactions energy: -50.027
where: short stacking energy: -28.516
Base-Backbone interact. energy: -0.046
local terms energy: -54.133648
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -91.705603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.705603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.705603 (E_RNA)
where:
Base-Base interactions energy: -46.115
where: short stacking energy: -23.754
Base-Backbone interact. energy: 1.188
local terms energy: -46.778429
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -4.960
flat angles P-C4'-P energy: -9.850
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: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -88.880072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.880072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.880072 (E_RNA)
where:
Base-Base interactions energy: -33.343
where: short stacking energy: -25.329
Base-Backbone interact. energy: -0.715
local terms energy: -54.821649
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -82.981586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.981586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.981586 (E_RNA)
where:
Base-Base interactions energy: -34.745
where: short stacking energy: -29.825
Base-Backbone interact. energy: -0.053
local terms energy: -48.183833
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -230.136105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.136105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.136105 (E_RNA)
where:
Base-Base interactions energy: -147.910
where: short stacking energy: -64.660
Base-Backbone interact. energy: -0.376
local terms energy: -81.849874
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -221.300918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.300918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.300918 (E_RNA)
where:
Base-Base interactions energy: -146.948
where: short stacking energy: -58.555
Base-Backbone interact. energy: -0.322
local terms energy: -74.031268
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -211.174775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.174775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.174775 (E_RNA)
where:
Base-Base interactions energy: -136.448
where: short stacking energy: -52.717
Base-Backbone interact. energy: -0.088
local terms energy: -74.638815
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -203.373816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.373816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.373816 (E_RNA)
where:
Base-Base interactions energy: -130.619
where: short stacking energy: -53.083
Base-Backbone interact. energy: -0.381
local terms energy: -72.374065
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -180.358900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.358900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.358900 (E_RNA)
where:
Base-Base interactions energy: -103.634
where: short stacking energy: -57.739
Base-Backbone interact. energy: -0.811
local terms energy: -75.912995
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -108.724484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.724484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.724484 (E_RNA)
where:
Base-Base interactions energy: -47.642
where: short stacking energy: -38.731
Base-Backbone interact. energy: -0.629
local terms energy: -60.453069
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -88.031449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.031449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.031449 (E_RNA)
where:
Base-Base interactions energy: -30.644
where: short stacking energy: -30.346
Base-Backbone interact. energy: -0.112
local terms energy: -57.275445
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -9.598
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: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -84.931641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.931641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.931641 (E_RNA)
where:
Base-Base interactions energy: -32.991
where: short stacking energy: -20.070
Base-Backbone interact. energy: -0.467
local terms energy: -51.473190
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -5.644
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: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -84.019107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.019107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.019107 (E_RNA)
where:
Base-Base interactions energy: -25.049
where: short stacking energy: -25.049
Base-Backbone interact. energy: 0.494
local terms energy: -59.464130
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -3.499
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: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -85.882783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.882783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.882783 (E_RNA)
where:
Base-Base interactions energy: -36.322
where: short stacking energy: -33.675
Base-Backbone interact. energy: -0.161
local terms energy: -49.400618
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -3.533
tors. eta vs tors. theta energy: -6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -231.101471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.101471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.101471 (E_RNA)
where:
Base-Base interactions energy: -154.149
where: short stacking energy: -68.909
Base-Backbone interact. energy: 1.172
local terms energy: -78.124581
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -18.410
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: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -209.735805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.735805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.735805 (E_RNA)
where:
Base-Base interactions energy: -135.511
where: short stacking energy: -53.815
Base-Backbone interact. energy: -0.298
local terms energy: -73.926787
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -18.322
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: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -213.182992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.182992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.182992 (E_RNA)
where:
Base-Base interactions energy: -139.547
where: short stacking energy: -62.353
Base-Backbone interact. energy: -0.000
local terms energy: -73.635791
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -21.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -173.427426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.427426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.427426 (E_RNA)
where:
Base-Base interactions energy: -105.600
where: short stacking energy: -47.974
Base-Backbone interact. energy: -0.060
local terms energy: -67.767171
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -199.856585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.856585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.856585 (E_RNA)
where:
Base-Base interactions energy: -130.161
where: short stacking energy: -65.970
Base-Backbone interact. energy: -0.004
local terms energy: -69.691027
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -100.149713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.149713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.149713 (E_RNA)
where:
Base-Base interactions energy: -40.920
where: short stacking energy: -38.840
Base-Backbone interact. energy: -0.488
local terms energy: -58.741647
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -99.814119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.814119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.814119 (E_RNA)
where:
Base-Base interactions energy: -41.454
where: short stacking energy: -34.782
Base-Backbone interact. energy: -0.055
local terms energy: -58.305611
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -81.881228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.881228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.881228 (E_RNA)
where:
Base-Base interactions energy: -32.307
where: short stacking energy: -26.724
Base-Backbone interact. energy: 0.152
local terms energy: -49.726283
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -84.423076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.423076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.423076 (E_RNA)
where:
Base-Base interactions energy: -31.649
where: short stacking energy: -31.649
Base-Backbone interact. energy: -0.841
local terms energy: -51.933255
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -87.020165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.020165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.020165 (E_RNA)
where:
Base-Base interactions energy: -33.610
where: short stacking energy: -33.610
Base-Backbone interact. energy: -0.163
local terms energy: -53.247472
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -5.037
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: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -226.849137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.849137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.849137 (E_RNA)
where:
Base-Base interactions energy: -149.626
where: short stacking energy: -63.743
Base-Backbone interact. energy: 0.060
local terms energy: -77.282980
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -19.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -214.772580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.772580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.772580 (E_RNA)
where:
Base-Base interactions energy: -150.809
where: short stacking energy: -60.357
Base-Backbone interact. energy: -0.017
local terms energy: -63.946082
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -217.029101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.029101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.029101 (E_RNA)
where:
Base-Base interactions energy: -150.897
where: short stacking energy: -60.614
Base-Backbone interact. energy: 0.124
local terms energy: -66.255701
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -167.262068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.262068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.262068 (E_RNA)
where:
Base-Base interactions energy: -99.219
where: short stacking energy: -49.603
Base-Backbone interact. energy: -0.009
local terms energy: -68.034210
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -197.736645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.736645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.736645 (E_RNA)
where:
Base-Base interactions energy: -123.172
where: short stacking energy: -50.135
Base-Backbone interact. energy: -0.556
local terms energy: -74.008514
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -88.586640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.586640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.586640 (E_RNA)
where:
Base-Base interactions energy: -38.548
where: short stacking energy: -30.378
Base-Backbone interact. energy: -0.132
local terms energy: -49.906556
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -6.870
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -89.938658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.938658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.938658 (E_RNA)
where:
Base-Base interactions energy: -37.238
where: short stacking energy: -25.711
Base-Backbone interact. energy: 1.665
local terms energy: -54.365378
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -79.914868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.914868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.914868 (E_RNA)
where:
Base-Base interactions energy: -33.932
where: short stacking energy: -28.494
Base-Backbone interact. energy: 0.824
local terms energy: -46.806362
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -2.743
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: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -94.523757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.523757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.523757 (E_RNA)
where:
Base-Base interactions energy: -43.678
where: short stacking energy: -38.301
Base-Backbone interact. energy: 0.916
local terms energy: -51.761898
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -5.357
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: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -74.427231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.427231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.427231 (E_RNA)
where:
Base-Base interactions energy: -26.232
where: short stacking energy: -23.566
Base-Backbone interact. energy: 1.600
local terms energy: -49.795538
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -225.101618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.101618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.101618 (E_RNA)
where:
Base-Base interactions energy: -150.146
where: short stacking energy: -64.824
Base-Backbone interact. energy: -0.088
local terms energy: -74.867580
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -213.881109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.881109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.881109 (E_RNA)
where:
Base-Base interactions energy: -134.798
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.002
local terms energy: -79.081015
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -201.927036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.927036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.927036 (E_RNA)
where:
Base-Base interactions energy: -133.263
where: short stacking energy: -68.042
Base-Backbone interact. energy: -0.001
local terms energy: -68.663358
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -7.603
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -21.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -213.154690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.154690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.154690 (E_RNA)
where:
Base-Base interactions energy: -143.004
where: short stacking energy: -55.722
Base-Backbone interact. energy: -1.348
local terms energy: -68.803214
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -15.922
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: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -167.445258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.445258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.445258 (E_RNA)
where:
Base-Base interactions energy: -97.798
where: short stacking energy: -51.087
Base-Backbone interact. energy: -0.001
local terms energy: -69.646175
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -96.489682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.489682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.489682 (E_RNA)
where:
Base-Base interactions energy: -50.302
where: short stacking energy: -35.261
Base-Backbone interact. energy: -0.189
local terms energy: -45.999471
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -95.045329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.045329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.045329 (E_RNA)
where:
Base-Base interactions energy: -42.330
where: short stacking energy: -42.430
Base-Backbone interact. energy: -0.064
local terms energy: -52.650719
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -11.392
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: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -83.010347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.010347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.010347 (E_RNA)
where:
Base-Base interactions energy: -31.027
where: short stacking energy: -27.968
Base-Backbone interact. energy: -0.154
local terms energy: -51.828746
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -74.321646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.321646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.321646 (E_RNA)
where:
Base-Base interactions energy: -30.144
where: short stacking energy: -29.838
Base-Backbone interact. energy: -0.033
local terms energy: -44.145214
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -3.246
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: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -85.853724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.853724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.853724 (E_RNA)
where:
Base-Base interactions energy: -41.249
where: short stacking energy: -36.392
Base-Backbone interact. energy: -0.001
local terms energy: -44.603964
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -4.468
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: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -224.794773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.794773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.794773 (E_RNA)
where:
Base-Base interactions energy: -144.388
where: short stacking energy: -46.503
Base-Backbone interact. energy: -0.116
local terms energy: -80.291252
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -19.282
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: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -222.703748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.703748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.703748 (E_RNA)
where:
Base-Base interactions energy: -138.870
where: short stacking energy: -65.279
Base-Backbone interact. energy: -0.016
local terms energy: -83.818237
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -21.048
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: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -214.454821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.454821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.454821 (E_RNA)
where:
Base-Base interactions energy: -141.465
where: short stacking energy: -55.858
Base-Backbone interact. energy: -0.012
local terms energy: -72.977036
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -207.423406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.423406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.423406 (E_RNA)
where:
Base-Base interactions energy: -136.583
where: short stacking energy: -59.423
Base-Backbone interact. energy: 0.498
local terms energy: -71.338728
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -20.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -165.158913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.158913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.158913 (E_RNA)
where:
Base-Base interactions energy: -104.594
where: short stacking energy: -44.740
Base-Backbone interact. energy: -0.208
local terms energy: -60.356467
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -11.068
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -12.734
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: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -94.911259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.911259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.911259 (E_RNA)
where:
Base-Base interactions energy: -45.649
where: short stacking energy: -37.555
Base-Backbone interact. energy: -0.382
local terms energy: -48.879704
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -10.541
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: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -91.665253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.665253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.665253 (E_RNA)
where:
Base-Base interactions energy: -31.708
where: short stacking energy: -31.634
Base-Backbone interact. energy: -0.508
local terms energy: -59.449606
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -5.957
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: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -88.651652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.651652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.651652 (E_RNA)
where:
Base-Base interactions energy: -44.297
where: short stacking energy: -17.667
Base-Backbone interact. energy: -0.405
local terms energy: -43.949460
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -75.079434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.079434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.079434 (E_RNA)
where:
Base-Base interactions energy: -27.608
where: short stacking energy: -27.608
Base-Backbone interact. energy: -0.248
local terms energy: -47.223608
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: 2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -74.834138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.834138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.834138 (E_RNA)
where:
Base-Base interactions energy: -29.877
where: short stacking energy: -24.524
Base-Backbone interact. energy: 1.093
local terms energy: -46.050472
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -219.341376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.341376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341376 (E_RNA)
where:
Base-Base interactions energy: -145.997
where: short stacking energy: -69.000
Base-Backbone interact. energy: 1.149
local terms energy: -74.493114
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -20.769
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: 3
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -221.468350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.468350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.468350 (E_RNA)
where:
Base-Base interactions energy: -140.283
where: short stacking energy: -61.704
Base-Backbone interact. energy: -1.598
local terms energy: -79.587437
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -210.411695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.411695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.411695 (E_RNA)
where:
Base-Base interactions energy: -144.162
where: short stacking energy: -51.539
Base-Backbone interact. energy: -1.087
local terms energy: -65.162898
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -219.288778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.288778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.288778 (E_RNA)
where:
Base-Base interactions energy: -152.476
where: short stacking energy: -66.344
Base-Backbone interact. energy: -0.004
local terms energy: -66.808373
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -18.811
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: 459
Temperature: 1.100000
Total energy: -168.069507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.069507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.069507 (E_RNA)
where:
Base-Base interactions energy: -101.207
where: short stacking energy: -50.745
Base-Backbone interact. energy: -0.110
local terms energy: -66.752328
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -114.335571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.335571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.335571 (E_RNA)
where:
Base-Base interactions energy: -48.563
where: short stacking energy: -31.080
Base-Backbone interact. energy: -0.085
local terms energy: -65.688071
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -133.950977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.950977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.950977 (E_RNA)
where:
Base-Base interactions energy: -76.469
where: short stacking energy: -40.334
Base-Backbone interact. energy: 2.830
local terms energy: -60.312541
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -10.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -80.735125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.735125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.735125 (E_RNA)
where:
Base-Base interactions energy: -32.091
where: short stacking energy: -26.839
Base-Backbone interact. energy: -0.087
local terms energy: -48.557179
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -105.203340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.203340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.203340 (E_RNA)
where:
Base-Base interactions energy: -62.265
where: short stacking energy: -37.177
Base-Backbone interact. energy: 1.630
local terms energy: -44.568450
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -1.467
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -75.969916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.969916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.969916 (E_RNA)
where:
Base-Base interactions energy: -20.567
where: short stacking energy: -20.406
Base-Backbone interact. energy: -0.647
local terms energy: -54.755943
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -224.375515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.375515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.375515 (E_RNA)
where:
Base-Base interactions energy: -145.667
where: short stacking energy: -61.664
Base-Backbone interact. energy: -0.149
local terms energy: -78.559634
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -17.855
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: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -217.473069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.473069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.473069 (E_RNA)
where:
Base-Base interactions energy: -141.893
where: short stacking energy: -62.419
Base-Backbone interact. energy: -0.253
local terms energy: -75.327369
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -20.426
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: 460
Temperature: 1.000000
Total energy: -208.792854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.792854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.792854 (E_RNA)
where:
Base-Base interactions energy: -152.475
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.307
local terms energy: -56.010855
where:
bonds (distance) C4'-P energy: -6.099
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -12.610
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: 460
Temperature: 1.050000
Total energy: -199.163131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.163131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.163131 (E_RNA)
where:
Base-Base interactions energy: -129.805
where: short stacking energy: -59.506
Base-Backbone interact. energy: -0.002
local terms energy: -69.355533
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -164.070915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.070915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.070915 (E_RNA)
where:
Base-Base interactions energy: -95.163
where: short stacking energy: -43.132
Base-Backbone interact. energy: -0.155
local terms energy: -68.753042
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -100.749153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.749153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.749153 (E_RNA)
where:
Base-Base interactions energy: -49.260
where: short stacking energy: -25.871
Base-Backbone interact. energy: 1.353
local terms energy: -52.842705
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -10.215
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: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -95.253140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.253140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.253140 (E_RNA)
where:
Base-Base interactions energy: -43.209
where: short stacking energy: -30.603
Base-Backbone interact. energy: -0.191
local terms energy: -51.853836
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -141.842525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.842525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.842525 (E_RNA)
where:
Base-Base interactions energy: -83.210
where: short stacking energy: -27.094
Base-Backbone interact. energy: -0.128
local terms energy: -58.504328
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -85.572540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.572540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.572540 (E_RNA)
where:
Base-Base interactions energy: -35.579
where: short stacking energy: -35.579
Base-Backbone interact. energy: -0.090
local terms energy: -49.902909
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -76.299400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.299400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.299400 (E_RNA)
where:
Base-Base interactions energy: -37.154
where: short stacking energy: -20.399
Base-Backbone interact. energy: -0.281
local terms energy: -38.865000
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -5.884
flat angles P-C4'-P energy: -5.038
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: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -220.378358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.378358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.378358 (E_RNA)
where:
Base-Base interactions energy: -144.423
where: short stacking energy: -66.918
Base-Backbone interact. energy: 0.078
local terms energy: -76.032961
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -214.826808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.826808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.826808 (E_RNA)
where:
Base-Base interactions energy: -141.039
where: short stacking energy: -60.831
Base-Backbone interact. energy: -0.355
local terms energy: -73.433142
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -206.992047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.992047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.992047 (E_RNA)
where:
Base-Base interactions energy: -135.397
where: short stacking energy: -57.442
Base-Backbone interact. energy: -0.769
local terms energy: -70.825575
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -216.699654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.699654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.699654 (E_RNA)
where:
Base-Base interactions energy: -151.946
where: short stacking energy: -51.738
Base-Backbone interact. energy: -0.141
local terms energy: -64.612887
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -11.485
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: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -165.338345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.338345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.338345 (E_RNA)
where:
Base-Base interactions energy: -109.556
where: short stacking energy: -51.270
Base-Backbone interact. energy: -0.014
local terms energy: -55.768575
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -2.719
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -83.494648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.494648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.494648 (E_RNA)
where:
Base-Base interactions energy: -34.114
where: short stacking energy: -31.093
Base-Backbone interact. energy: -0.035
local terms energy: -49.345789
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -9.139
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -81.542243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.542243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.542243 (E_RNA)
where:
Base-Base interactions energy: -26.019
where: short stacking energy: -26.019
Base-Backbone interact. energy: -0.167
local terms energy: -55.356518
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -78.115708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.115708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.115708 (E_RNA)
where:
Base-Base interactions energy: -32.140
where: short stacking energy: -29.686
Base-Backbone interact. energy: -0.136
local terms energy: -45.839427
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -5.568
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: 0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -81.529766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.529766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.529766 (E_RNA)
where:
Base-Base interactions energy: -25.324
where: short stacking energy: -25.324
Base-Backbone interact. energy: -0.115
local terms energy: -56.090744
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -77.166258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.166258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.166258 (E_RNA)
where:
Base-Base interactions energy: -25.160
where: short stacking energy: -19.789
Base-Backbone interact. energy: -1.130
local terms energy: -50.876054
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: 0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -221.146010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.146010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.146010 (E_RNA)
where:
Base-Base interactions energy: -154.076
where: short stacking energy: -46.621
Base-Backbone interact. energy: -0.618
local terms energy: -66.451967
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -12.359
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: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -226.332709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.332709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.332709 (E_RNA)
where:
Base-Base interactions energy: -157.789
where: short stacking energy: -63.648
Base-Backbone interact. energy: -0.554
local terms energy: -67.989649
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -16.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -217.039067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.039067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.039067 (E_RNA)
where:
Base-Base interactions energy: -146.747
where: short stacking energy: -59.373
Base-Backbone interact. energy: -0.408
local terms energy: -69.883982
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -196.378965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.378965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.378965 (E_RNA)
where:
Base-Base interactions energy: -137.647
where: short stacking energy: -56.199
Base-Backbone interact. energy: 2.562
local terms energy: -61.294049
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -9.302
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: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -132.260597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.260597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.260597 (E_RNA)
where:
Base-Base interactions energy: -75.971
where: short stacking energy: -36.332
Base-Backbone interact. energy: 0.268
local terms energy: -56.557648
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -101.768473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.768473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.768473 (E_RNA)
where:
Base-Base interactions energy: -50.934
where: short stacking energy: -36.648
Base-Backbone interact. energy: -0.505
local terms energy: -50.329792
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -100.944324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.944324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.944324 (E_RNA)
where:
Base-Base interactions energy: -46.603
where: short stacking energy: -34.023
Base-Backbone interact. energy: -0.623
local terms energy: -53.718810
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -10.337
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: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -107.122112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.122112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.122112 (E_RNA)
where:
Base-Base interactions energy: -43.269
where: short stacking energy: -43.020
Base-Backbone interact. energy: -0.538
local terms energy: -63.314405
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -13.932
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: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -83.374024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.374024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.374024 (E_RNA)
where:
Base-Base interactions energy: -29.553
where: short stacking energy: -29.553
Base-Backbone interact. energy: -0.179
local terms energy: -53.642232
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -73.394019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.394019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.394019 (E_RNA)
where:
Base-Base interactions energy: -26.572
where: short stacking energy: -22.108
Base-Backbone interact. energy: -0.202
local terms energy: -46.620977
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -9.188
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -3.251
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: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -226.812008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.812008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.812008 (E_RNA)
where:
Base-Base interactions energy: -156.519
where: short stacking energy: -58.266
Base-Backbone interact. energy: -0.156
local terms energy: -70.136996
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -233.098075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.098075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.098075 (E_RNA)
where:
Base-Base interactions energy: -158.020
where: short stacking energy: -64.212
Base-Backbone interact. energy: -0.675
local terms energy: -74.402885
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -16.778
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: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -205.619095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.619095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.619095 (E_RNA)
where:
Base-Base interactions energy: -134.377
where: short stacking energy: -61.626
Base-Backbone interact. energy: -0.035
local terms energy: -71.206555
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -14.320
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: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -198.653841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.653841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.653841 (E_RNA)
where:
Base-Base interactions energy: -136.699
where: short stacking energy: -55.668
Base-Backbone interact. energy: 0.186
local terms energy: -62.141208
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -10.453
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: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -162.450555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.450555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.450555 (E_RNA)
where:
Base-Base interactions energy: -93.717
where: short stacking energy: -43.177
Base-Backbone interact. energy: -0.014
local terms energy: -68.719713
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -89.896380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.896380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.896380 (E_RNA)
where:
Base-Base interactions energy: -32.073
where: short stacking energy: -21.672
Base-Backbone interact. energy: -0.424
local terms energy: -57.399433
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -92.990515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.990515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.990515 (E_RNA)
where:
Base-Base interactions energy: -45.503
where: short stacking energy: -25.608
Base-Backbone interact. energy: 2.700
local terms energy: -50.187279
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -10.261
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: 8, replica: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -84.312360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.312360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.312360 (E_RNA)
where:
Base-Base interactions energy: -32.739
where: short stacking energy: -20.807
Base-Backbone interact. energy: -0.257
local terms energy: -51.316376
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -9.546
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: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -96.145404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.145404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.145404 (E_RNA)
where:
Base-Base interactions energy: -43.145
where: short stacking energy: -37.102
Base-Backbone interact. energy: -0.021
local terms energy: -52.979937
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -77.166452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.166452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.166452 (E_RNA)
where:
Base-Base interactions energy: -23.488
where: short stacking energy: -17.502
Base-Backbone interact. energy: -0.358
local terms energy: -53.321426
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -228.342097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.342097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.342097 (E_RNA)
where:
Base-Base interactions energy: -156.349
where: short stacking energy: -61.892
Base-Backbone interact. energy: -0.020
local terms energy: -71.972441
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -217.350985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.350985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.350985 (E_RNA)
where:
Base-Base interactions energy: -146.654
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.109
local terms energy: -70.588384
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -209.337847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.337847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.337847 (E_RNA)
where:
Base-Base interactions energy: -139.814
where: short stacking energy: -70.056
Base-Backbone interact. energy: -0.600
local terms energy: -68.923719
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -190.687462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.687462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.687462 (E_RNA)
where:
Base-Base interactions energy: -127.283
where: short stacking energy: -51.087
Base-Backbone interact. energy: -1.124
local terms energy: -62.279935
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -10.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -156.645588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.645588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.645588 (E_RNA)
where:
Base-Base interactions energy: -88.371
where: short stacking energy: -46.554
Base-Backbone interact. energy: -0.088
local terms energy: -68.186596
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -103.743471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.743471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.743471 (E_RNA)
where:
Base-Base interactions energy: -44.022
where: short stacking energy: -44.022
Base-Backbone interact. energy: -0.145
local terms energy: -59.576044
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -90.286065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.286065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.286065 (E_RNA)
where:
Base-Base interactions energy: -44.676
where: short stacking energy: -31.760
Base-Backbone interact. energy: -0.486
local terms energy: -45.123510
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -86.961566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.961566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.961566 (E_RNA)
where:
Base-Base interactions energy: -43.628
where: short stacking energy: -32.698
Base-Backbone interact. energy: -0.110
local terms energy: -43.222680
where:
bonds (distance) C4'-P energy: -8.583
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -4.042
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: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -81.669164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.669164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.669164 (E_RNA)
where:
Base-Base interactions energy: -37.337
where: short stacking energy: -26.142
Base-Backbone interact. energy: -0.150
local terms energy: -44.181445
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -6.951
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: 1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -76.424241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.424241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.424241 (E_RNA)
where:
Base-Base interactions energy: -24.008
where: short stacking energy: -24.208
Base-Backbone interact. energy: 0.816
local terms energy: -53.232505
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -3.339
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: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -230.139677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.139677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.139677 (E_RNA)
where:
Base-Base interactions energy: -159.681
where: short stacking energy: -59.803
Base-Backbone interact. energy: -0.081
local terms energy: -70.378203
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -202.645871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.645871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645871 (E_RNA)
where:
Base-Base interactions energy: -128.846
where: short stacking energy: -63.514
Base-Backbone interact. energy: 0.012
local terms energy: -73.811814
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -14.546
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: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -222.825247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.825247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.825247 (E_RNA)
where:
Base-Base interactions energy: -163.611
where: short stacking energy: -54.056
Base-Backbone interact. energy: -0.169
local terms energy: -59.044605
where:
bonds (distance) C4'-P energy: -5.527
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -17.318
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: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -194.537650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.537650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.537650 (E_RNA)
where:
Base-Base interactions energy: -134.938
where: short stacking energy: -50.695
Base-Backbone interact. energy: -1.050
local terms energy: -58.550487
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -149.726008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.726008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.726008 (E_RNA)
where:
Base-Base interactions energy: -89.531
where: short stacking energy: -36.395
Base-Backbone interact. energy: 1.201
local terms energy: -61.396328
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -8.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -90.225566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.225566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.225566 (E_RNA)
where:
Base-Base interactions energy: -33.297
where: short stacking energy: -33.297
Base-Backbone interact. energy: -0.039
local terms energy: -56.889967
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -88.513730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.513730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.513730 (E_RNA)
where:
Base-Base interactions energy: -35.900
where: short stacking energy: -35.900
Base-Backbone interact. energy: -0.025
local terms energy: -52.588204
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -3.560
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -88.344797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.344797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.344797 (E_RNA)
where:
Base-Base interactions energy: -40.461
where: short stacking energy: -24.620
Base-Backbone interact. energy: -0.371
local terms energy: -47.513411
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -7.477
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -86.971284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.971284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.971284 (E_RNA)
where:
Base-Base interactions energy: -28.267
where: short stacking energy: -23.765
Base-Backbone interact. energy: -1.708
local terms energy: -56.996814
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -77.889211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.889211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.889211 (E_RNA)
where:
Base-Base interactions energy: -35.358
where: short stacking energy: -25.479
Base-Backbone interact. energy: 1.062
local terms energy: -43.593410
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -6.417
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -209.419623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.419623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.419623 (E_RNA)
where:
Base-Base interactions energy: -130.648
where: short stacking energy: -60.704
Base-Backbone interact. energy: -1.782
local terms energy: -76.989707
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -228.385050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.385050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.385050 (E_RNA)
where:
Base-Base interactions energy: -154.672
where: short stacking energy: -62.513
Base-Backbone interact. energy: -0.048
local terms energy: -73.665376
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -212.274205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.274205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.274205 (E_RNA)
where:
Base-Base interactions energy: -143.222
where: short stacking energy: -64.989
Base-Backbone interact. energy: 0.281
local terms energy: -69.332892
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -208.407031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.407031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.407031 (E_RNA)
where:
Base-Base interactions energy: -149.812
where: short stacking energy: -52.793
Base-Backbone interact. energy: 1.151
local terms energy: -59.745383
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -160.252080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.252080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.252080 (E_RNA)
where:
Base-Base interactions energy: -99.759
where: short stacking energy: -37.771
Base-Backbone interact. energy: -0.232
local terms energy: -60.260710
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -96.030617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.030617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.030617 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -37.291
Base-Backbone interact. energy: -0.084
local terms energy: -58.655551
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -10.357
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: 7, replica: 1
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -108.052810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.052810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.052810 (E_RNA)
where:
Base-Base interactions energy: -53.904
where: short stacking energy: -40.731
Base-Backbone interact. energy: 0.186
local terms energy: -54.334603
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -84.890005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.890005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.890005 (E_RNA)
where:
Base-Base interactions energy: -43.239
where: short stacking energy: -22.057
Base-Backbone interact. energy: -0.174
local terms energy: -41.477129
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: 1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -75.397883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.397883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.397883 (E_RNA)
where:
Base-Base interactions energy: -29.949
where: short stacking energy: -25.760
Base-Backbone interact. energy: -0.140
local terms energy: -45.308450
where:
bonds (distance) C4'-P energy: -5.996
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -77.825136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.825136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.825136 (E_RNA)
where:
Base-Base interactions energy: -27.458
where: short stacking energy: -22.829
Base-Backbone interact. energy: -0.630
local terms energy: -49.737373
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: 0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -216.457129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.457129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.457129 (E_RNA)
where:
Base-Base interactions energy: -136.733
where: short stacking energy: -67.464
Base-Backbone interact. energy: -0.287
local terms energy: -79.437340
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -219.480756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.480756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.480756 (E_RNA)
where:
Base-Base interactions energy: -145.622
where: short stacking energy: -62.517
Base-Backbone interact. energy: -0.123
local terms energy: -73.736016
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -19.014
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: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -225.862522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.862522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.862522 (E_RNA)
where:
Base-Base interactions energy: -156.051
where: short stacking energy: -62.237
Base-Backbone interact. energy: -0.601
local terms energy: -69.210035
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -207.082770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.082770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.082770 (E_RNA)
where:
Base-Base interactions energy: -143.080
where: short stacking energy: -62.410
Base-Backbone interact. energy: 0.344
local terms energy: -64.346569
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -145.569926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.569926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.569926 (E_RNA)
where:
Base-Base interactions energy: -82.385
where: short stacking energy: -43.141
Base-Backbone interact. energy: -0.159
local terms energy: -63.026623
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -113.241646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.241646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.241646 (E_RNA)
where:
Base-Base interactions energy: -49.596
where: short stacking energy: -44.389
Base-Backbone interact. energy: -0.067
local terms energy: -63.578325
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -9.574
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: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -98.260158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.260158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.260158 (E_RNA)
where:
Base-Base interactions energy: -45.930
where: short stacking energy: -42.350
Base-Backbone interact. energy: -0.096
local terms energy: -52.233538
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -8.702
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: 8, replica: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -78.518350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.518350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.518350 (E_RNA)
where:
Base-Base interactions energy: -32.965
where: short stacking energy: -19.716
Base-Backbone interact. energy: -0.047
local terms energy: -45.506484
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: 2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -79.552730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.552730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.552730 (E_RNA)
where:
Base-Base interactions energy: -30.226
where: short stacking energy: -26.894
Base-Backbone interact. energy: -0.470
local terms energy: -48.856802
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -78.970450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.970450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.970450 (E_RNA)
where:
Base-Base interactions energy: -30.879
where: short stacking energy: -26.891
Base-Backbone interact. energy: -0.169
local terms energy: -47.922639
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -7.043
flat angles P-C4'-P energy: -7.094
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: 10
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -211.268944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.268944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.268944 (E_RNA)
where:
Base-Base interactions energy: -134.566
where: short stacking energy: -62.009
Base-Backbone interact. energy: -2.642
local terms energy: -74.060989
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -18.460
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: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -214.846625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.846625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.846625 (E_RNA)
where:
Base-Base interactions energy: -138.748
where: short stacking energy: -66.217
Base-Backbone interact. energy: -0.025
local terms energy: -76.073600
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -21.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -222.172266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.172266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.172266 (E_RNA)
where:
Base-Base interactions energy: -152.906
where: short stacking energy: -58.344
Base-Backbone interact. energy: -0.031
local terms energy: -69.235255
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -19.501
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: 468
Temperature: 1.050000
Total energy: -211.136158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.136158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.136158 (E_RNA)
where:
Base-Base interactions energy: -148.248
where: short stacking energy: -55.523
Base-Backbone interact. energy: -0.080
local terms energy: -62.808318
where:
bonds (distance) C4'-P energy: -6.341
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -107.164483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.164483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.164483 (E_RNA)
where:
Base-Base interactions energy: -65.776
where: short stacking energy: -37.154
Base-Backbone interact. energy: -0.247
local terms energy: -41.141157
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -7.652
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -7.991
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: 6, replica: 1
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -160.121405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.121405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.121405 (E_RNA)
where:
Base-Base interactions energy: -96.881
where: short stacking energy: -50.648
Base-Backbone interact. energy: -0.011
local terms energy: -63.229494
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -14.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -101.138746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.138746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.138746 (E_RNA)
where:
Base-Base interactions energy: -40.029
where: short stacking energy: -39.737
Base-Backbone interact. energy: -0.814
local terms energy: -60.295645
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -79.758871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.758871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.758871 (E_RNA)
where:
Base-Base interactions energy: -26.490
where: short stacking energy: -21.275
Base-Backbone interact. energy: -0.233
local terms energy: -53.035802
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -83.094469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.094469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.094469 (E_RNA)
where:
Base-Base interactions energy: -42.351
where: short stacking energy: -22.713
Base-Backbone interact. energy: 1.932
local terms energy: -42.676217
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: 2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -74.179675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.179675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.179675 (E_RNA)
where:
Base-Base interactions energy: -27.824
where: short stacking energy: -20.610
Base-Backbone interact. energy: -0.094
local terms energy: -46.261821
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -0.716
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -215.033565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.033565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.033565 (E_RNA)
where:
Base-Base interactions energy: -140.314
where: short stacking energy: -69.736
Base-Backbone interact. energy: -0.538
local terms energy: -74.181573
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -218.563910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.563910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.563910 (E_RNA)
where:
Base-Base interactions energy: -142.999
where: short stacking energy: -62.615
Base-Backbone interact. energy: -0.642
local terms energy: -74.922675
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -20.180
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: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -220.624870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.624870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.624870 (E_RNA)
where:
Base-Base interactions energy: -135.898
where: short stacking energy: -66.890
Base-Backbone interact. energy: -0.005
local terms energy: -84.721965
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -20.917
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: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -143.342862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.342862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.342862 (E_RNA)
where:
Base-Base interactions energy: -79.612
where: short stacking energy: -47.399
Base-Backbone interact. energy: -1.395
local terms energy: -62.335627
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -11.069
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: 5, replica: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -179.005971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.005971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.005971 (E_RNA)
where:
Base-Base interactions energy: -121.963
where: short stacking energy: -45.555
Base-Backbone interact. energy: 0.238
local terms energy: -57.280953
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -9.722
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: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -146.941502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.941502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.941502 (E_RNA)
where:
Base-Base interactions energy: -90.424
where: short stacking energy: -47.364
Base-Backbone interact. energy: -0.089
local terms energy: -56.428677
where:
bonds (distance) C4'-P energy: -6.920
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -103.516754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.516754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.516754 (E_RNA)
where:
Base-Base interactions energy: -44.499
where: short stacking energy: -42.386
Base-Backbone interact. energy: -0.766
local terms energy: -58.251731
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -9.201
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -9.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -101.619077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.619077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.619077 (E_RNA)
where:
Base-Base interactions energy: -50.486
where: short stacking energy: -29.776
Base-Backbone interact. energy: -0.176
local terms energy: -50.957765
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -85.201776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.201776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.201776 (E_RNA)
where:
Base-Base interactions energy: -33.300
where: short stacking energy: -26.928
Base-Backbone interact. energy: -1.176
local terms energy: -50.726074
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -80.691940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.691940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.691940 (E_RNA)
where:
Base-Base interactions energy: -28.433
where: short stacking energy: -24.896
Base-Backbone interact. energy: -0.081
local terms energy: -52.178329
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -0.670
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: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -221.221970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.221970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.221970 (E_RNA)
where:
Base-Base interactions energy: -145.442
where: short stacking energy: -65.243
Base-Backbone interact. energy: -0.646
local terms energy: -75.133752
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -208.187372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.187372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.187372 (E_RNA)
where:
Base-Base interactions energy: -134.196
where: short stacking energy: -69.310
Base-Backbone interact. energy: -0.688
local terms energy: -73.302999
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -210.338466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.338466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.338466 (E_RNA)
where:
Base-Base interactions energy: -128.909
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.050
local terms energy: -81.379211
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -23.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -171.219604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.219604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.219604 (E_RNA)
where:
Base-Base interactions energy: -101.968
where: short stacking energy: -54.512
Base-Backbone interact. energy: -1.145
local terms energy: -68.106710
where:
bonds (distance) C4'-P energy: -9.397
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -16.842
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: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -203.897828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.897828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.897828 (E_RNA)
where:
Base-Base interactions energy: -137.210
where: short stacking energy: -53.881
Base-Backbone interact. energy: -0.091
local terms energy: -66.597434
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -18.567
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: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -146.781958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.781958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.781958 (E_RNA)
where:
Base-Base interactions energy: -89.556
where: short stacking energy: -44.904
Base-Backbone interact. energy: 0.449
local terms energy: -57.674532
where:
bonds (distance) C4'-P energy: -9.015
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -9.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -82.757130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.757130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.757130 (E_RNA)
where:
Base-Base interactions energy: -33.314
where: short stacking energy: -33.314
Base-Backbone interact. energy: 0.093
local terms energy: -49.536894
where:
bonds (distance) C4'-P energy: -7.583
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -7.459
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -87.835987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.835987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.835987 (E_RNA)
where:
Base-Base interactions energy: -38.596
where: short stacking energy: -24.622
Base-Backbone interact. energy: -0.327
local terms energy: -48.913292
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -1.769
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: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -82.405822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.405822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.405822 (E_RNA)
where:
Base-Base interactions energy: -29.988
where: short stacking energy: -27.004
Base-Backbone interact. energy: -0.215
local terms energy: -52.202546
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -8.678
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -69.223547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.223547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.223547 (E_RNA)
where:
Base-Base interactions energy: -25.822
where: short stacking energy: -16.158
Base-Backbone interact. energy: -0.129
local terms energy: -43.272663
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: 4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -223.502812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.502812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.502812 (E_RNA)
where:
Base-Base interactions energy: -147.582
where: short stacking energy: -66.458
Base-Backbone interact. energy: -0.604
local terms energy: -75.317169
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -193.615976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.615976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.615976 (E_RNA)
where:
Base-Base interactions energy: -123.148
where: short stacking energy: -67.838
Base-Backbone interact. energy: -0.444
local terms energy: -70.024383
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -17.927
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: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -213.425571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.425571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.425571 (E_RNA)
where:
Base-Base interactions energy: -137.703
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.001
local terms energy: -75.721305
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -208.770367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.770367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.770367 (E_RNA)
where:
Base-Base interactions energy: -139.572
where: short stacking energy: -57.584
Base-Backbone interact. energy: -0.096
local terms energy: -69.102383
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -16.948
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: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -166.699056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.699056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.699056 (E_RNA)
where:
Base-Base interactions energy: -106.246
where: short stacking energy: -49.403
Base-Backbone interact. energy: -1.250
local terms energy: -59.202576
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -7.050
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: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -156.211982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.211982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.211982 (E_RNA)
where:
Base-Base interactions energy: -95.298
where: short stacking energy: -48.388
Base-Backbone interact. energy: -0.065
local terms energy: -60.849184
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -8.417
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -90.181206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.181206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.181206 (E_RNA)
where:
Base-Base interactions energy: -34.368
where: short stacking energy: -34.368
Base-Backbone interact. energy: -0.378
local terms energy: -55.435582
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -85.520400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.520400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.520400 (E_RNA)
where:
Base-Base interactions energy: -26.089
where: short stacking energy: -26.089
Base-Backbone interact. energy: -0.141
local terms energy: -59.290392
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -82.324983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.324983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.324983 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -23.892
Base-Backbone interact. energy: -0.101
local terms energy: -52.274689
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -1.870
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: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -76.481239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.481239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.481239 (E_RNA)
where:
Base-Base interactions energy: -30.842
where: short stacking energy: -30.842
Base-Backbone interact. energy: -0.677
local terms energy: -44.961493
where:
bonds (distance) C4'-P energy: -7.269
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -221.380517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.380517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.380517 (E_RNA)
where:
Base-Base interactions energy: -148.463
where: short stacking energy: -57.822
Base-Backbone interact. energy: -0.853
local terms energy: -72.064601
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -212.344952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.344952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.344952 (E_RNA)
where:
Base-Base interactions energy: -137.407
where: short stacking energy: -62.232
Base-Backbone interact. energy: -0.781
local terms energy: -74.157052
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -210.322767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.322767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.322767 (E_RNA)
where:
Base-Base interactions energy: -133.580
where: short stacking energy: -63.394
Base-Backbone interact. energy: -0.265
local terms energy: -76.478489
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -191.339514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.339514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.339514 (E_RNA)
where:
Base-Base interactions energy: -128.370
where: short stacking energy: -49.874
Base-Backbone interact. energy: -0.082
local terms energy: -62.887360
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -154.037851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.037851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.037851 (E_RNA)
where:
Base-Base interactions energy: -89.540
where: short stacking energy: -48.776
Base-Backbone interact. energy: -0.791
local terms energy: -63.706495
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -14.176
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: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -162.391191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.391191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.391191 (E_RNA)
where:
Base-Base interactions energy: -100.079
where: short stacking energy: -58.010
Base-Backbone interact. energy: -0.060
local terms energy: -62.252372
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -11.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -94.668558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.668558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.668558 (E_RNA)
where:
Base-Base interactions energy: -30.873
where: short stacking energy: -27.834
Base-Backbone interact. energy: -0.431
local terms energy: -63.364474
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -7.075
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: 472
Temperature: 1.250000
Total energy: -79.290197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.290197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.290197 (E_RNA)
where:
Base-Base interactions energy: -28.097
where: short stacking energy: -28.997
Base-Backbone interact. energy: -0.746
local terms energy: -50.446835
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -82.336190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.336190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.336190 (E_RNA)
where:
Base-Base interactions energy: -35.607
where: short stacking energy: -25.832
Base-Backbone interact. energy: -0.223
local terms energy: -46.506986
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -6.520
flat angles P-C4'-P energy: -7.442
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: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -80.953800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.953800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.953800 (E_RNA)
where:
Base-Base interactions energy: -33.561
where: short stacking energy: -26.985
Base-Backbone interact. energy: -0.018
local terms energy: -47.374670
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -225.820337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.820337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.820337 (E_RNA)
where:
Base-Base interactions energy: -155.624
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.678
local terms energy: -69.518398
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -13.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -216.736005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.736005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.736005 (E_RNA)
where:
Base-Base interactions energy: -148.694
where: short stacking energy: -62.177
Base-Backbone interact. energy: -0.112
local terms energy: -67.930000
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -189.991839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.991839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.991839 (E_RNA)
where:
Base-Base interactions energy: -125.047
where: short stacking energy: -51.455
Base-Backbone interact. energy: -0.356
local terms energy: -64.588554
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -184.851983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.851983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.851983 (E_RNA)
where:
Base-Base interactions energy: -126.435
where: short stacking energy: -47.913
Base-Backbone interact. energy: -0.129
local terms energy: -58.288813
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -11.009
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: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -171.215896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.215896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.215896 (E_RNA)
where:
Base-Base interactions energy: -97.738
where: short stacking energy: -49.976
Base-Backbone interact. energy: -0.368
local terms energy: -73.110101
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -157.900164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.900164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.900164 (E_RNA)
where:
Base-Base interactions energy: -99.292
where: short stacking energy: -48.660
Base-Backbone interact. energy: -0.587
local terms energy: -58.021326
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -81.338423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.338423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.338423 (E_RNA)
where:
Base-Base interactions energy: -31.185
where: short stacking energy: -23.650
Base-Backbone interact. energy: 0.102
local terms energy: -50.255505
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -94.134773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.134773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.134773 (E_RNA)
where:
Base-Base interactions energy: -42.799
where: short stacking energy: -26.953
Base-Backbone interact. energy: -0.004
local terms energy: -51.332042
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -6.494
flat angles P-C4'-P energy: -9.784
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: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -79.987925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.987925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.987925 (E_RNA)
where:
Base-Base interactions energy: -28.057
where: short stacking energy: -27.434
Base-Backbone interact. energy: -0.065
local terms energy: -51.866597
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -5.631
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: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -70.780040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.780040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.780040 (E_RNA)
where:
Base-Base interactions energy: -19.438
where: short stacking energy: -13.453
Base-Backbone interact. energy: -2.001
local terms energy: -49.341714
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -220.518989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.518989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.518989 (E_RNA)
where:
Base-Base interactions energy: -155.500
where: short stacking energy: -59.061
Base-Backbone interact. energy: -0.109
local terms energy: -64.910041
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -13.009
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: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -223.901233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.901233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.901233 (E_RNA)
where:
Base-Base interactions energy: -153.446
where: short stacking energy: -61.952
Base-Backbone interact. energy: 1.292
local terms energy: -71.747104
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -16.595
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: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -194.321053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.321053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.321053 (E_RNA)
where:
Base-Base interactions energy: -125.172
where: short stacking energy: -54.590
Base-Backbone interact. energy: -0.397
local terms energy: -68.752366
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -186.963885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.963885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.963885 (E_RNA)
where:
Base-Base interactions energy: -128.961
where: short stacking energy: -45.684
Base-Backbone interact. energy: 1.072
local terms energy: -59.074812
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -8.909
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: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -162.898498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.898498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.898498 (E_RNA)
where:
Base-Base interactions energy: -96.785
where: short stacking energy: -52.808
Base-Backbone interact. energy: -0.065
local terms energy: -66.049074
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -151.815509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.815509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.815509 (E_RNA)
where:
Base-Base interactions energy: -95.363
where: short stacking energy: -38.908
Base-Backbone interact. energy: 0.213
local terms energy: -56.665033
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -88.351129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.351129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.351129 (E_RNA)
where:
Base-Base interactions energy: -30.650
where: short stacking energy: -29.273
Base-Backbone interact. energy: -0.159
local terms energy: -57.541942
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -6.628
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: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -85.234460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.234460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.234460 (E_RNA)
where:
Base-Base interactions energy: -35.362
where: short stacking energy: -29.236
Base-Backbone interact. energy: 0.116
local terms energy: -49.988315
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: 1.857
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: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -85.057319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.057319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.057319 (E_RNA)
where:
Base-Base interactions energy: -36.167
where: short stacking energy: -19.767
Base-Backbone interact. energy: -0.029
local terms energy: -48.861178
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -8.064
flat angles P-C4'-P energy: -6.769
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: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -71.698497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.698497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.698497 (E_RNA)
where:
Base-Base interactions energy: -25.159
where: short stacking energy: -17.500
Base-Backbone interact. energy: 1.805
local terms energy: -48.345234
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -222.557259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.557259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.557259 (E_RNA)
where:
Base-Base interactions energy: -149.577
where: short stacking energy: -58.939
Base-Backbone interact. energy: -0.843
local terms energy: -72.138026
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -210.954204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.954204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.954204 (E_RNA)
where:
Base-Base interactions energy: -141.330
where: short stacking energy: -74.086
Base-Backbone interact. energy: -0.070
local terms energy: -69.554122
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -218.374340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.374340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.374340 (E_RNA)
where:
Base-Base interactions energy: -141.206
where: short stacking energy: -67.681
Base-Backbone interact. energy: -0.028
local terms energy: -77.140121
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -204.032570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.032570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.032570 (E_RNA)
where:
Base-Base interactions energy: -126.020
where: short stacking energy: -67.011
Base-Backbone interact. energy: -0.370
local terms energy: -77.642496
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -19.737
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: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -188.989135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.989135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.989135 (E_RNA)
where:
Base-Base interactions energy: -129.272
where: short stacking energy: -54.322
Base-Backbone interact. energy: -0.092
local terms energy: -59.624994
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -8.521
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -15.700
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: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -178.584498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.584498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.584498 (E_RNA)
where:
Base-Base interactions energy: -115.354
where: short stacking energy: -52.943
Base-Backbone interact. energy: -0.096
local terms energy: -63.134641
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -99.709900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.709900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.709900 (E_RNA)
where:
Base-Base interactions energy: -51.047
where: short stacking energy: -46.752
Base-Backbone interact. energy: -0.096
local terms energy: -48.567074
where:
bonds (distance) C4'-P energy: -8.977
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -92.070233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.070233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.070233 (E_RNA)
where:
Base-Base interactions energy: -35.224
where: short stacking energy: -33.968
Base-Backbone interact. energy: -0.078
local terms energy: -56.767869
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -79.597900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.597900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.597900 (E_RNA)
where:
Base-Base interactions energy: -33.518
where: short stacking energy: -29.918
Base-Backbone interact. energy: 1.208
local terms energy: -47.288543
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -12.376
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: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -68.314326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.314326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.314326 (E_RNA)
where:
Base-Base interactions energy: -11.705
where: short stacking energy: -10.947
Base-Backbone interact. energy: -0.219
local terms energy: -56.390741
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -6.439
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: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -222.398417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.398417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.398417 (E_RNA)
where:
Base-Base interactions energy: -147.018
where: short stacking energy: -66.280
Base-Backbone interact. energy: -0.056
local terms energy: -75.324552
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -218.242256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.242256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.242256 (E_RNA)
where:
Base-Base interactions energy: -152.607
where: short stacking energy: -61.090
Base-Backbone interact. energy: -0.004
local terms energy: -65.631425
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -16.967
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: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -186.910868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.910868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.910868 (E_RNA)
where:
Base-Base interactions energy: -118.820
where: short stacking energy: -64.099
Base-Backbone interact. energy: -0.012
local terms energy: -68.078778
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -18.506
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: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -200.280056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.280056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.280056 (E_RNA)
where:
Base-Base interactions energy: -135.591
where: short stacking energy: -52.388
Base-Backbone interact. energy: -0.067
local terms energy: -64.622011
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -174.645535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.645535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.645535 (E_RNA)
where:
Base-Base interactions energy: -114.040
where: short stacking energy: -54.830
Base-Backbone interact. energy: -0.002
local terms energy: -60.603825
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -7.747
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -189.408153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.408153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.408153 (E_RNA)
where:
Base-Base interactions energy: -135.336
where: short stacking energy: -53.546
Base-Backbone interact. energy: -0.071
local terms energy: -54.001370
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -9.306
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -100.905688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.905688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.905688 (E_RNA)
where:
Base-Base interactions energy: -45.153
where: short stacking energy: -24.666
Base-Backbone interact. energy: -1.404
local terms energy: -54.349070
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -78.387271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.387271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.387271 (E_RNA)
where:
Base-Base interactions energy: -32.614
where: short stacking energy: -26.806
Base-Backbone interact. energy: -0.365
local terms energy: -45.408612
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -72.782171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.782171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.782171 (E_RNA)
where:
Base-Base interactions energy: -22.369
where: short stacking energy: -14.600
Base-Backbone interact. energy: -0.137
local terms energy: -50.276911
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -12.128
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: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -72.119988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.119988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.119988 (E_RNA)
where:
Base-Base interactions energy: -24.635
where: short stacking energy: -24.635
Base-Backbone interact. energy: -0.285
local terms energy: -47.199505
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -6.819
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: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -226.585744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.585744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.585744 (E_RNA)
where:
Base-Base interactions energy: -147.194
where: short stacking energy: -57.533
Base-Backbone interact. energy: -0.106
local terms energy: -79.286286
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -222.654097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.654097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.654097 (E_RNA)
where:
Base-Base interactions energy: -150.144
where: short stacking energy: -61.967
Base-Backbone interact. energy: -0.094
local terms energy: -72.415771
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -168.416774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.416774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.416774 (E_RNA)
where:
Base-Base interactions energy: -110.537
where: short stacking energy: -47.026
Base-Backbone interact. energy: -0.499
local terms energy: -57.381357
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -198.601410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.601410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.601410 (E_RNA)
where:
Base-Base interactions energy: -119.945
where: short stacking energy: -48.820
Base-Backbone interact. energy: -0.150
local terms energy: -78.506097
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -187.826278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.826278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.826278 (E_RNA)
where:
Base-Base interactions energy: -124.350
where: short stacking energy: -48.211
Base-Backbone interact. energy: -0.334
local terms energy: -63.141681
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -10.608
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: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -169.418976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.418976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.418976 (E_RNA)
where:
Base-Base interactions energy: -106.387
where: short stacking energy: -48.117
Base-Backbone interact. energy: -0.125
local terms energy: -62.907439
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -11.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -199.763412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.763412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.763412 (E_RNA)
where:
Base-Base interactions energy: -135.530
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.076
local terms energy: -64.156999
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -92.227249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.227249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.227249 (E_RNA)
where:
Base-Base interactions energy: -36.810
where: short stacking energy: -33.307
Base-Backbone interact. energy: -0.092
local terms energy: -55.325848
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -94.963470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.963470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.963470 (E_RNA)
where:
Base-Base interactions energy: -41.277
where: short stacking energy: -37.071
Base-Backbone interact. energy: -0.502
local terms energy: -53.185399
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -2.375
tors. eta vs tors. theta energy: -9.720
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: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -77.765860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.765860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.765860 (E_RNA)
where:
Base-Base interactions energy: -33.646
where: short stacking energy: -24.281
Base-Backbone interact. energy: 1.539
local terms energy: -45.659129
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -228.476137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.476137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.476137 (E_RNA)
where:
Base-Base interactions energy: -153.691
where: short stacking energy: -65.209
Base-Backbone interact. energy: -0.022
local terms energy: -74.763274
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -221.332412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.332412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.332412 (E_RNA)
where:
Base-Base interactions energy: -147.121
where: short stacking energy: -69.756
Base-Backbone interact. energy: -0.484
local terms energy: -73.728202
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -209.787947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.787947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.787947 (E_RNA)
where:
Base-Base interactions energy: -144.266
where: short stacking energy: -63.450
Base-Backbone interact. energy: -1.309
local terms energy: -64.213416
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -13.751
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: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -171.842947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.842947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.842947 (E_RNA)
where:
Base-Base interactions energy: -96.408
where: short stacking energy: -46.557
Base-Backbone interact. energy: -0.332
local terms energy: -75.103003
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -14.500
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: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -196.739053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.739053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.739053 (E_RNA)
where:
Base-Base interactions energy: -134.449
where: short stacking energy: -52.998
Base-Backbone interact. energy: -0.366
local terms energy: -61.924603
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -15.190
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: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -174.468733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.468733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.468733 (E_RNA)
where:
Base-Base interactions energy: -111.893
where: short stacking energy: -46.052
Base-Backbone interact. energy: -1.691
local terms energy: -60.884692
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -16.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -196.669001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.669001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.669001 (E_RNA)
where:
Base-Base interactions energy: -124.750
where: short stacking energy: -57.429
Base-Backbone interact. energy: -0.787
local terms energy: -71.132145
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -89.476752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.476752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.476752 (E_RNA)
where:
Base-Base interactions energy: -38.976
where: short stacking energy: -28.042
Base-Backbone interact. energy: -0.270
local terms energy: -50.230595
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -87.902870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.902870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.902870 (E_RNA)
where:
Base-Base interactions energy: -36.030
where: short stacking energy: -29.335
Base-Backbone interact. energy: -0.105
local terms energy: -51.768153
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -73.248004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.248004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.248004 (E_RNA)
where:
Base-Base interactions energy: -20.089
where: short stacking energy: -19.723
Base-Backbone interact. energy: -0.732
local terms energy: -52.427311
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -1.858
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: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -227.326316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.326316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.326316 (E_RNA)
where:
Base-Base interactions energy: -154.083
where: short stacking energy: -58.752
Base-Backbone interact. energy: -0.186
local terms energy: -73.057873
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -225.593580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.593580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.593580 (E_RNA)
where:
Base-Base interactions energy: -142.448
where: short stacking energy: -65.840
Base-Backbone interact. energy: -1.168
local terms energy: -81.977875
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -211.224969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.224969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.224969 (E_RNA)
where:
Base-Base interactions energy: -140.454
where: short stacking energy: -71.680
Base-Backbone interact. energy: -0.368
local terms energy: -70.402766
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -188.426492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.426492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.426492 (E_RNA)
where:
Base-Base interactions energy: -127.179
where: short stacking energy: -54.572
Base-Backbone interact. energy: -0.036
local terms energy: -61.211609
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -167.175357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.175357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.175357 (E_RNA)
where:
Base-Base interactions energy: -100.402
where: short stacking energy: -52.276
Base-Backbone interact. energy: -1.311
local terms energy: -65.461870
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -207.800909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.800909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.800909 (E_RNA)
where:
Base-Base interactions energy: -136.270
where: short stacking energy: -59.357
Base-Backbone interact. energy: -0.005
local terms energy: -71.526098
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -157.525309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.525309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.525309 (E_RNA)
where:
Base-Base interactions energy: -99.790
where: short stacking energy: -47.585
Base-Backbone interact. energy: 1.215
local terms energy: -58.949760
where:
bonds (distance) C4'-P energy: -7.367
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.232
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: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -83.217898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.217898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.217898 (E_RNA)
where:
Base-Base interactions energy: -33.945
where: short stacking energy: -25.634
Base-Backbone interact. energy: -0.018
local terms energy: -49.255568
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -88.089197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.089197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.089197 (E_RNA)
where:
Base-Base interactions energy: -38.529
where: short stacking energy: -33.801
Base-Backbone interact. energy: -0.180
local terms energy: -49.379754
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -2.601
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -71.947317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.947317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.947317 (E_RNA)
where:
Base-Base interactions energy: -22.614
where: short stacking energy: -22.137
Base-Backbone interact. energy: -0.172
local terms energy: -49.161481
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -7.659
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: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -233.301063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.301063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.301063 (E_RNA)
where:
Base-Base interactions energy: -149.291
where: short stacking energy: -63.324
Base-Backbone interact. energy: -0.578
local terms energy: -83.431122
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -19.469
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: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -216.638113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.638113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.638113 (E_RNA)
where:
Base-Base interactions energy: -147.028
where: short stacking energy: -49.565
Base-Backbone interact. energy: -0.348
local terms energy: -69.262657
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -194.157758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.157758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.157758 (E_RNA)
where:
Base-Base interactions energy: -130.767
where: short stacking energy: -59.962
Base-Backbone interact. energy: -0.697
local terms energy: -62.692979
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -204.390972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.390972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.390972 (E_RNA)
where:
Base-Base interactions energy: -135.372
where: short stacking energy: -55.263
Base-Backbone interact. energy: -0.340
local terms energy: -68.678932
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -212.594290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.594290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.594290 (E_RNA)
where:
Base-Base interactions energy: -142.234
where: short stacking energy: -60.920
Base-Backbone interact. energy: -0.000
local terms energy: -70.359377
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -170.528162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.528162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.528162 (E_RNA)
where:
Base-Base interactions energy: -105.156
where: short stacking energy: -49.396
Base-Backbone interact. energy: -0.658
local terms energy: -64.714039
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -12.868
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: 7, replica: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -155.152096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.152096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.152096 (E_RNA)
where:
Base-Base interactions energy: -96.950
where: short stacking energy: -39.047
Base-Backbone interact. energy: -0.130
local terms energy: -58.072260
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -11.490
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: 8, replica: 9
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -101.055761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.055761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.055761 (E_RNA)
where:
Base-Base interactions energy: -43.632
where: short stacking energy: -34.162
Base-Backbone interact. energy: -0.354
local terms energy: -57.069629
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -10.601
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: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -85.682544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.682544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.682544 (E_RNA)
where:
Base-Base interactions energy: -31.973
where: short stacking energy: -17.314
Base-Backbone interact. energy: -0.158
local terms energy: -53.552216
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: 1.524
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: 10, replica: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -77.596124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.596124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.596124 (E_RNA)
where:
Base-Base interactions energy: -27.600
where: short stacking energy: -27.600
Base-Backbone interact. energy: -0.066
local terms energy: -49.930106
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -228.514425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.514425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.514425 (E_RNA)
where:
Base-Base interactions energy: -146.630
where: short stacking energy: -67.467
Base-Backbone interact. energy: -0.164
local terms energy: -81.720275
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -21.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -213.133509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.133509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.133509 (E_RNA)
where:
Base-Base interactions energy: -151.486
where: short stacking energy: -64.333
Base-Backbone interact. energy: -0.280
local terms energy: -61.367285
where:
bonds (distance) C4'-P energy: -5.496
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -213.930857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.930857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.930857 (E_RNA)
where:
Base-Base interactions energy: -140.049
where: short stacking energy: -55.245
Base-Backbone interact. energy: -0.096
local terms energy: -73.785483
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -220.317576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.317576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.317576 (E_RNA)
where:
Base-Base interactions energy: -148.055
where: short stacking energy: -60.961
Base-Backbone interact. energy: -0.124
local terms energy: -72.137938
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -19.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -203.869872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.869872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.869872 (E_RNA)
where:
Base-Base interactions energy: -141.586
where: short stacking energy: -66.168
Base-Backbone interact. energy: -0.205
local terms energy: -62.078604
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -159.544655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.544655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.544655 (E_RNA)
where:
Base-Base interactions energy: -105.569
where: short stacking energy: -41.411
Base-Backbone interact. energy: 1.192
local terms energy: -55.168024
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -165.037362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.037362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.037362 (E_RNA)
where:
Base-Base interactions energy: -106.944
where: short stacking energy: -38.713
Base-Backbone interact. energy: -0.064
local terms energy: -58.029014
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -3.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -80.908799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.908799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.908799 (E_RNA)
where:
Base-Base interactions energy: -29.317
where: short stacking energy: -29.317
Base-Backbone interact. energy: -0.104
local terms energy: -51.488183
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -3.661
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -82.824919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.824919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.824919 (E_RNA)
where:
Base-Base interactions energy: -37.046
where: short stacking energy: -37.046
Base-Backbone interact. energy: -0.004
local terms energy: -45.774801
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -8.201
flat angles P-C4'-P energy: -3.237
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: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -77.591282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.591282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.591282 (E_RNA)
where:
Base-Base interactions energy: -27.640
where: short stacking energy: -27.640
Base-Backbone interact. energy: -0.063
local terms energy: -49.888556
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -9.948
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: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -218.392545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.392545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.392545 (E_RNA)
where:
Base-Base interactions energy: -149.278
where: short stacking energy: -51.049
Base-Backbone interact. energy: -1.295
local terms energy: -67.819394
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -10.142
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: 2, replica: 3
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -223.597564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.597564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.597564 (E_RNA)
where:
Base-Base interactions energy: -148.413
where: short stacking energy: -72.183
Base-Backbone interact. energy: 0.273
local terms energy: -75.457598
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -21.289
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: 482
Temperature: 1.000000
Total energy: -222.056565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.056565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.056565 (E_RNA)
where:
Base-Base interactions energy: -146.499
where: short stacking energy: -58.311
Base-Backbone interact. energy: 0.826
local terms energy: -76.383774
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -191.885053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.885053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.885053 (E_RNA)
where:
Base-Base interactions energy: -126.727
where: short stacking energy: -49.350
Base-Backbone interact. energy: -0.379
local terms energy: -64.778227
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -13.159
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: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -194.977680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.977680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.977680 (E_RNA)
where:
Base-Base interactions energy: -129.951
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.022
local terms energy: -65.004434
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -9.885
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -152.615139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.615139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.615139 (E_RNA)
where:
Base-Base interactions energy: -95.728
where: short stacking energy: -47.577
Base-Backbone interact. energy: -0.444
local terms energy: -56.442555
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -9.222
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -171.563018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.563018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.563018 (E_RNA)
where:
Base-Base interactions energy: -110.020
where: short stacking energy: -50.399
Base-Backbone interact. energy: -0.120
local terms energy: -61.422245
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -95.092499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.092499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.092499 (E_RNA)
where:
Base-Base interactions energy: -40.921
where: short stacking energy: -32.203
Base-Backbone interact. energy: -0.032
local terms energy: -54.139714
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -81.230692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.230692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.230692 (E_RNA)
where:
Base-Base interactions energy: -33.098
where: short stacking energy: -27.389
Base-Backbone interact. energy: 1.294
local terms energy: -49.426450
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -70.383145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.383145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.383145 (E_RNA)
where:
Base-Base interactions energy: -19.334
where: short stacking energy: -18.931
Base-Backbone interact. energy: -1.230
local terms energy: -49.819640
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -9.638
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: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -220.470170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.470170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.470170 (E_RNA)
where:
Base-Base interactions energy: -158.914
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.384
local terms energy: -61.172480
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -9.822
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: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -228.366475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.366475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.366475 (E_RNA)
where:
Base-Base interactions energy: -160.600
where: short stacking energy: -56.887
Base-Backbone interact. energy: -0.025
local terms energy: -67.740936
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -12.390
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: 483
Temperature: 1.000000
Total energy: -220.056084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.056084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.056084 (E_RNA)
where:
Base-Base interactions energy: -138.588
where: short stacking energy: -71.896
Base-Backbone interact. energy: -0.510
local terms energy: -80.958354
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -192.999809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.999809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.999809 (E_RNA)
where:
Base-Base interactions energy: -126.484
where: short stacking energy: -62.759
Base-Backbone interact. energy: -0.007
local terms energy: -66.508796
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -7.421
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -205.024214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.024214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.024214 (E_RNA)
where:
Base-Base interactions energy: -136.547
where: short stacking energy: -49.338
Base-Backbone interact. energy: -0.186
local terms energy: -68.290903
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -181.377633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.377633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.377633 (E_RNA)
where:
Base-Base interactions energy: -123.904
where: short stacking energy: -44.647
Base-Backbone interact. energy: -0.411
local terms energy: -57.063088
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -12.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -163.149778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.149778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.149778 (E_RNA)
where:
Base-Base interactions energy: -96.320
where: short stacking energy: -45.277
Base-Backbone interact. energy: -0.400
local terms energy: -66.429337
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -12.070
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: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -87.726333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.726333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.726333 (E_RNA)
where:
Base-Base interactions energy: -32.570
where: short stacking energy: -32.570
Base-Backbone interact. energy: -0.003
local terms energy: -55.154112
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -76.838133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.838133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.838133 (E_RNA)
where:
Base-Base interactions energy: -26.859
where: short stacking energy: -25.071
Base-Backbone interact. energy: 1.075
local terms energy: -51.054562
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -9.743
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: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -81.552293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.552293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.552293 (E_RNA)
where:
Base-Base interactions energy: -42.526
where: short stacking energy: -23.262
Base-Backbone interact. energy: -0.135
local terms energy: -38.891318
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -5.989
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: 1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -224.961828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.961828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.961828 (E_RNA)
where:
Base-Base interactions energy: -160.585
where: short stacking energy: -64.934
Base-Backbone interact. energy: 1.055
local terms energy: -65.431985
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -211.317185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.317185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.317185 (E_RNA)
where:
Base-Base interactions energy: -145.346
where: short stacking energy: -48.936
Base-Backbone interact. energy: -0.582
local terms energy: -65.388946
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -11.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -214.642183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.642183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.642183 (E_RNA)
where:
Base-Base interactions energy: -139.376
where: short stacking energy: -60.964
Base-Backbone interact. energy: -0.753
local terms energy: -74.512959
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -19.585
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: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -204.910107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.910107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.910107 (E_RNA)
where:
Base-Base interactions energy: -132.493
where: short stacking energy: -58.661
Base-Backbone interact. energy: -0.017
local terms energy: -72.400892
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -179.801106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.801106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.801106 (E_RNA)
where:
Base-Base interactions energy: -120.585
where: short stacking energy: -54.863
Base-Backbone interact. energy: 0.106
local terms energy: -59.321518
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -6.505
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: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -165.015101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.015101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.015101 (E_RNA)
where:
Base-Base interactions energy: -108.343
where: short stacking energy: -39.254
Base-Backbone interact. energy: 0.427
local terms energy: -57.098798
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -155.876275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.876275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.876275 (E_RNA)
where:
Base-Base interactions energy: -96.157
where: short stacking energy: -45.274
Base-Backbone interact. energy: -0.106
local terms energy: -59.612934
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -97.037430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.037430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.037430 (E_RNA)
where:
Base-Base interactions energy: -37.128
where: short stacking energy: -28.721
Base-Backbone interact. energy: -0.150
local terms energy: -59.759675
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -7.637
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: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -76.546894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.546894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.546894 (E_RNA)
where:
Base-Base interactions energy: -22.576
where: short stacking energy: -22.576
Base-Backbone interact. energy: -0.046
local terms energy: -53.924604
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -7.185
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: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -73.708699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.708699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.708699 (E_RNA)
where:
Base-Base interactions energy: -22.586
where: short stacking energy: -21.286
Base-Backbone interact. energy: -0.018
local terms energy: -51.104198
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -0.640
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: 10
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -225.685115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.685115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.685115 (E_RNA)
where:
Base-Base interactions energy: -151.648
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.007
local terms energy: -74.029981
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -219.107855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.107855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.107855 (E_RNA)
where:
Base-Base interactions energy: -137.556
where: short stacking energy: -63.670
Base-Backbone interact. energy: -0.417
local terms energy: -81.134828
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -201.859293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.859293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.859293 (E_RNA)
where:
Base-Base interactions energy: -138.593
where: short stacking energy: -49.233
Base-Backbone interact. energy: -0.311
local terms energy: -62.955144
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -12.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -205.753432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.753432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.753432 (E_RNA)
where:
Base-Base interactions energy: -138.243
where: short stacking energy: -51.955
Base-Backbone interact. energy: -0.001
local terms energy: -67.509262
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -16.781
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: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -186.551930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.551930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.551930 (E_RNA)
where:
Base-Base interactions energy: -120.166
where: short stacking energy: -51.653
Base-Backbone interact. energy: -0.080
local terms energy: -66.305900
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -150.110862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.110862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.110862 (E_RNA)
where:
Base-Base interactions energy: -88.942
where: short stacking energy: -51.085
Base-Backbone interact. energy: -0.041
local terms energy: -61.127458
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -12.980
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: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -184.351998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.351998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.351998 (E_RNA)
where:
Base-Base interactions energy: -126.119
where: short stacking energy: -42.147
Base-Backbone interact. energy: -0.236
local terms energy: -57.996899
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -90.016951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.016951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.016951 (E_RNA)
where:
Base-Base interactions energy: -41.008
where: short stacking energy: -39.970
Base-Backbone interact. energy: -0.398
local terms energy: -48.611145
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -4.622
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: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -82.646752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.646752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.646752 (E_RNA)
where:
Base-Base interactions energy: -32.532
where: short stacking energy: -21.719
Base-Backbone interact. energy: -0.190
local terms energy: -49.924786
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -82.150616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.150616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.150616 (E_RNA)
where:
Base-Base interactions energy: -26.779
where: short stacking energy: -23.992
Base-Backbone interact. energy: -0.069
local terms energy: -55.301865
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -8.244
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: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -226.956999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.956999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.956999 (E_RNA)
where:
Base-Base interactions energy: -159.167
where: short stacking energy: -61.875
Base-Backbone interact. energy: -0.399
local terms energy: -67.390542
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -222.829354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.829354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.829354 (E_RNA)
where:
Base-Base interactions energy: -150.331
where: short stacking energy: -57.135
Base-Backbone interact. energy: -0.200
local terms energy: -72.298616
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -207.419033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.419033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.419033 (E_RNA)
where:
Base-Base interactions energy: -135.929
where: short stacking energy: -47.644
Base-Backbone interact. energy: -0.644
local terms energy: -70.846611
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -182.626621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.626621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.626621 (E_RNA)
where:
Base-Base interactions energy: -116.107
where: short stacking energy: -45.370
Base-Backbone interact. energy: -0.113
local terms energy: -66.406141
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -12.287
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: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -212.195880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.195880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.195880 (E_RNA)
where:
Base-Base interactions energy: -139.040
where: short stacking energy: -51.551
Base-Backbone interact. energy: -0.241
local terms energy: -72.914884
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -191.651190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.651190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.651190 (E_RNA)
where:
Base-Base interactions energy: -125.638
where: short stacking energy: -49.387
Base-Backbone interact. energy: 0.420
local terms energy: -66.433541
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -16.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -177.133627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.133627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.133627 (E_RNA)
where:
Base-Base interactions energy: -109.807
where: short stacking energy: -52.001
Base-Backbone interact. energy: -0.125
local terms energy: -67.201181
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -9.196
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: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -87.075955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.075955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.075955 (E_RNA)
where:
Base-Base interactions energy: -40.801
where: short stacking energy: -21.252
Base-Backbone interact. energy: 0.030
local terms energy: -46.305577
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -85.119352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.119352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.119352 (E_RNA)
where:
Base-Base interactions energy: -35.056
where: short stacking energy: -34.563
Base-Backbone interact. energy: -0.238
local terms energy: -49.824791
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -77.824367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.824367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.824367 (E_RNA)
where:
Base-Base interactions energy: -23.638
where: short stacking energy: -23.638
Base-Backbone interact. energy: -0.008
local terms energy: -54.177400
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -11.054
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: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -222.182243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.182243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.182243 (E_RNA)
where:
Base-Base interactions energy: -152.776
where: short stacking energy: -54.677
Base-Backbone interact. energy: -0.143
local terms energy: -69.262784
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -210.456519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.456519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.456519 (E_RNA)
where:
Base-Base interactions energy: -139.009
where: short stacking energy: -55.912
Base-Backbone interact. energy: -0.039
local terms energy: -71.409345
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -15.008
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: 487
Temperature: 1.000000
Total energy: -211.723199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.723199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.723199 (E_RNA)
where:
Base-Base interactions energy: -141.650
where: short stacking energy: -62.742
Base-Backbone interact. energy: -0.202
local terms energy: -69.871313
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -214.362086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.362086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.362086 (E_RNA)
where:
Base-Base interactions energy: -139.829
where: short stacking energy: -60.076
Base-Backbone interact. energy: -0.097
local terms energy: -74.436326
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -17.108
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: 487
Temperature: 1.100000
Total energy: -191.065820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.065820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.065820 (E_RNA)
where:
Base-Base interactions energy: -125.667
where: short stacking energy: -59.709
Base-Backbone interact. energy: -0.610
local terms energy: -64.788941
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -200.897211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.897211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.897211 (E_RNA)
where:
Base-Base interactions energy: -127.611
where: short stacking energy: -60.399
Base-Backbone interact. energy: -0.860
local terms energy: -72.425904
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -186.955845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.955845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.955845 (E_RNA)
where:
Base-Base interactions energy: -135.747
where: short stacking energy: -46.993
Base-Backbone interact. energy: -0.265
local terms energy: -50.944305
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -8.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -83.632556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.632556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.632556 (E_RNA)
where:
Base-Base interactions energy: -32.966
where: short stacking energy: -32.401
Base-Backbone interact. energy: -0.444
local terms energy: -50.223275
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -81.922822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.922822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.922822 (E_RNA)
where:
Base-Base interactions energy: -34.346
where: short stacking energy: -18.451
Base-Backbone interact. energy: -0.927
local terms energy: -46.649683
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -6.906
flat angles P-C4'-P energy: -8.857
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: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -72.583394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.583394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.583394 (E_RNA)
where:
Base-Base interactions energy: -30.962
where: short stacking energy: -20.477
Base-Backbone interact. energy: 0.023
local terms energy: -41.644538
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -1.819
tors. eta vs tors. theta energy: -4.561
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: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -221.900569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.900569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.900569 (E_RNA)
where:
Base-Base interactions energy: -152.853
where: short stacking energy: -56.129
Base-Backbone interact. energy: -0.167
local terms energy: -68.880773
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -15.480
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: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -215.014719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.014719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.014719 (E_RNA)
where:
Base-Base interactions energy: -143.827
where: short stacking energy: -60.740
Base-Backbone interact. energy: -0.106
local terms energy: -71.081598
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -212.509412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.509412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.509412 (E_RNA)
where:
Base-Base interactions energy: -135.403
where: short stacking energy: -62.418
Base-Backbone interact. energy: -0.273
local terms energy: -76.832776
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -17.530
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: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -211.921543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.921543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.921543 (E_RNA)
where:
Base-Base interactions energy: -139.847
where: short stacking energy: -62.867
Base-Backbone interact. energy: -0.079
local terms energy: -71.996340
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -203.776529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.776529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.776529 (E_RNA)
where:
Base-Base interactions energy: -131.513
where: short stacking energy: -56.460
Base-Backbone interact. energy: -0.000
local terms energy: -72.263087
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -156.259350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.259350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.259350 (E_RNA)
where:
Base-Base interactions energy: -91.572
where: short stacking energy: -40.981
Base-Backbone interact. energy: -0.003
local terms energy: -64.684945
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -10.447
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: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -185.036988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.036988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.036988 (E_RNA)
where:
Base-Base interactions energy: -124.457
where: short stacking energy: -39.987
Base-Backbone interact. energy: -0.209
local terms energy: -60.370632
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -11.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -87.533951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.533951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.533951 (E_RNA)
where:
Base-Base interactions energy: -37.907
where: short stacking energy: -30.441
Base-Backbone interact. energy: -0.105
local terms energy: -49.521741
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -88.821892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.821892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.821892 (E_RNA)
where:
Base-Base interactions energy: -35.445
where: short stacking energy: -26.819
Base-Backbone interact. energy: -0.142
local terms energy: -53.235411
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -4.756
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: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -85.031621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.031621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.031621 (E_RNA)
where:
Base-Base interactions energy: -34.003
where: short stacking energy: -34.703
Base-Backbone interact. energy: 1.003
local terms energy: -52.032286
where:
bonds (distance) C4'-P energy: -6.488
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -7.172
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: 1, replica: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -220.235358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.235358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.235358 (E_RNA)
where:
Base-Base interactions energy: -145.833
where: short stacking energy: -61.355
Base-Backbone interact. energy: -0.017
local terms energy: -74.385041
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -19.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -219.834429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.834429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.834429 (E_RNA)
where:
Base-Base interactions energy: -145.126
where: short stacking energy: -56.135
Base-Backbone interact. energy: -0.002
local terms energy: -74.705558
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -219.917808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.917808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.917808 (E_RNA)
where:
Base-Base interactions energy: -157.678
where: short stacking energy: -52.432
Base-Backbone interact. energy: -1.177
local terms energy: -61.061906
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -215.172073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.172073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.172073 (E_RNA)
where:
Base-Base interactions energy: -140.590
where: short stacking energy: -55.092
Base-Backbone interact. energy: -0.524
local terms energy: -74.057612
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -16.739
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: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -201.882777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.882777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.882777 (E_RNA)
where:
Base-Base interactions energy: -134.192
where: short stacking energy: -62.220
Base-Backbone interact. energy: -0.182
local terms energy: -67.508944
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -187.190472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.190472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.190472 (E_RNA)
where:
Base-Base interactions energy: -126.235
where: short stacking energy: -59.513
Base-Backbone interact. energy: -0.312
local terms energy: -60.643233
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -189.630377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.630377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.630377 (E_RNA)
where:
Base-Base interactions energy: -120.814
where: short stacking energy: -50.593
Base-Backbone interact. energy: -1.574
local terms energy: -67.242638
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -87.591610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.591610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.591610 (E_RNA)
where:
Base-Base interactions energy: -43.717
where: short stacking energy: -37.367
Base-Backbone interact. energy: 2.054
local terms energy: -45.928117
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -8.772
flat angles P-C4'-P energy: -4.505
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: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -92.262504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.262504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.262504 (E_RNA)
where:
Base-Base interactions energy: -42.057
where: short stacking energy: -17.787
Base-Backbone interact. energy: -0.122
local terms energy: -50.083136
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -77.933642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.933642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.933642 (E_RNA)
where:
Base-Base interactions energy: -22.359
where: short stacking energy: -22.359
Base-Backbone interact. energy: -0.352
local terms energy: -55.222701
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -226.337291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.337291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.337291 (E_RNA)
where:
Base-Base interactions energy: -150.756
where: short stacking energy: -65.041
Base-Backbone interact. energy: -1.633
local terms energy: -73.948119
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -217.194897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.194897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.194897 (E_RNA)
where:
Base-Base interactions energy: -145.683
where: short stacking energy: -59.765
Base-Backbone interact. energy: 0.281
local terms energy: -71.792180
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -16.711
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: 490
Temperature: 1.000000
Total energy: -205.291864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.291864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.291864 (E_RNA)
where:
Base-Base interactions energy: -133.168
where: short stacking energy: -58.602
Base-Backbone interact. energy: -0.787
local terms energy: -71.337287
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -20.482
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: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -205.161893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.161893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.161893 (E_RNA)
where:
Base-Base interactions energy: -130.377
where: short stacking energy: -48.570
Base-Backbone interact. energy: -0.000
local terms energy: -74.785012
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -181.081934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.081934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.081934 (E_RNA)
where:
Base-Base interactions energy: -112.189
where: short stacking energy: -49.653
Base-Backbone interact. energy: -0.173
local terms energy: -68.720074
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -14.143
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: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -183.519798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.519798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.519798 (E_RNA)
where:
Base-Base interactions energy: -108.539
where: short stacking energy: -53.380
Base-Backbone interact. energy: -0.001
local terms energy: -74.979814
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -17.764
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: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -143.298177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.298177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.298177 (E_RNA)
where:
Base-Base interactions energy: -87.712
where: short stacking energy: -37.964
Base-Backbone interact. energy: -0.290
local terms energy: -55.295798
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.405
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: 8, replica: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -85.030641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.030641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.030641 (E_RNA)
where:
Base-Base interactions energy: -34.341
where: short stacking energy: -18.481
Base-Backbone interact. energy: -1.411
local terms energy: -49.278967
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -6.997
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -0.421
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: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -82.501928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.501928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.501928 (E_RNA)
where:
Base-Base interactions energy: -31.384
where: short stacking energy: -30.512
Base-Backbone interact. energy: -0.594
local terms energy: -50.523245
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -80.403907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.403907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.403907 (E_RNA)
where:
Base-Base interactions energy: -30.099
where: short stacking energy: -29.675
Base-Backbone interact. energy: -0.010
local terms energy: -50.295074
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -216.693739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.693739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.693739 (E_RNA)
where:
Base-Base interactions energy: -152.258
where: short stacking energy: -51.077
Base-Backbone interact. energy: -0.343
local terms energy: -64.092747
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -228.742449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.742449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.742449 (E_RNA)
where:
Base-Base interactions energy: -155.972
where: short stacking energy: -53.273
Base-Backbone interact. energy: -0.125
local terms energy: -72.645779
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -223.268261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.268261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.268261 (E_RNA)
where:
Base-Base interactions energy: -149.849
where: short stacking energy: -66.300
Base-Backbone interact. energy: -0.015
local terms energy: -73.404241
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -217.590729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.590729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.590729 (E_RNA)
where:
Base-Base interactions energy: -143.370
where: short stacking energy: -66.184
Base-Backbone interact. energy: 0.113
local terms energy: -74.333235
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -21.016
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: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -188.674581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.674581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.674581 (E_RNA)
where:
Base-Base interactions energy: -119.864
where: short stacking energy: -51.794
Base-Backbone interact. energy: -0.108
local terms energy: -68.702617
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -150.646066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.646066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.646066 (E_RNA)
where:
Base-Base interactions energy: -101.643
where: short stacking energy: -57.370
Base-Backbone interact. energy: 0.315
local terms energy: -49.318266
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -5.804
flat angles P-C4'-P energy: -10.649
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: 7, replica: 2
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -179.866039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.866039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.866039 (E_RNA)
where:
Base-Base interactions energy: -115.170
where: short stacking energy: -44.000
Base-Backbone interact. energy: -0.297
local terms energy: -64.399527
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -10.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -84.015810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.015810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.015810 (E_RNA)
where:
Base-Base interactions energy: -34.377
where: short stacking energy: -34.377
Base-Backbone interact. energy: -0.156
local terms energy: -49.483542
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -0.400
tors. eta vs tors. theta energy: -9.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -86.930823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.930823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.930823 (E_RNA)
where:
Base-Base interactions energy: -37.481
where: short stacking energy: -32.778
Base-Backbone interact. energy: -0.320
local terms energy: -49.129559
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -8.828
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -7.929
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: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -79.193337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.193337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.193337 (E_RNA)
where:
Base-Base interactions energy: -29.710
where: short stacking energy: -29.710
Base-Backbone interact. energy: 0.597
local terms energy: -50.080883
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -6.584
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: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -223.535934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.535934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.535934 (E_RNA)
where:
Base-Base interactions energy: -148.877
where: short stacking energy: -57.467
Base-Backbone interact. energy: -1.316
local terms energy: -73.343557
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -13.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -220.115617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.115617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.115617 (E_RNA)
where:
Base-Base interactions energy: -141.613
where: short stacking energy: -58.339
Base-Backbone interact. energy: -0.012
local terms energy: -78.489913
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -213.009335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.009335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.009335 (E_RNA)
where:
Base-Base interactions energy: -148.916
where: short stacking energy: -56.575
Base-Backbone interact. energy: -0.012
local terms energy: -64.081200
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -14.656
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: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -213.472607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.472607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.472607 (E_RNA)
where:
Base-Base interactions energy: -131.858
where: short stacking energy: -62.655
Base-Backbone interact. energy: -0.004
local terms energy: -81.610594
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -18.310
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: 492
Temperature: 1.100000
Total energy: -158.169177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.169177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.169177 (E_RNA)
where:
Base-Base interactions energy: -100.558
where: short stacking energy: -41.521
Base-Backbone interact. energy: 1.022
local terms energy: -58.633351
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -8.627
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: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -193.649748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.649748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.649748 (E_RNA)
where:
Base-Base interactions energy: -133.040
where: short stacking energy: -52.413
Base-Backbone interact. energy: -0.082
local terms energy: -60.527833
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -182.564289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.564289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.564289 (E_RNA)
where:
Base-Base interactions energy: -119.088
where: short stacking energy: -47.383
Base-Backbone interact. energy: -0.644
local terms energy: -62.832590
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -14.219
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: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -84.721116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.721116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.721116 (E_RNA)
where:
Base-Base interactions energy: -28.225
where: short stacking energy: -28.225
Base-Backbone interact. energy: 1.136
local terms energy: -57.632117
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -81.967539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.967539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.967539 (E_RNA)
where:
Base-Base interactions energy: -33.974
where: short stacking energy: -27.873
Base-Backbone interact. energy: -0.017
local terms energy: -47.976469
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -8.259
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: 10, replica: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -89.660498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.660498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.660498 (E_RNA)
where:
Base-Base interactions energy: -37.387
where: short stacking energy: -26.965
Base-Backbone interact. energy: -0.293
local terms energy: -51.979780
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -226.690642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.690642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.690642 (E_RNA)
where:
Base-Base interactions energy: -151.599
where: short stacking energy: -67.304
Base-Backbone interact. energy: -0.095
local terms energy: -74.996927
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -205.659310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.659310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.659310 (E_RNA)
where:
Base-Base interactions energy: -130.972
where: short stacking energy: -59.186
Base-Backbone interact. energy: -0.848
local terms energy: -73.838988
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -221.182954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.182954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.182954 (E_RNA)
where:
Base-Base interactions energy: -152.724
where: short stacking energy: -56.864
Base-Backbone interact. energy: 1.208
local terms energy: -69.666066
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -217.301063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.301063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.301063 (E_RNA)
where:
Base-Base interactions energy: -137.846
where: short stacking energy: -64.202
Base-Backbone interact. energy: -0.003
local terms energy: -79.452224
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -156.568998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.568998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.568998 (E_RNA)
where:
Base-Base interactions energy: -96.823
where: short stacking energy: -41.817
Base-Backbone interact. energy: 1.395
local terms energy: -61.141328
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -198.321173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.321173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.321173 (E_RNA)
where:
Base-Base interactions energy: -131.215
where: short stacking energy: -54.472
Base-Backbone interact. energy: -0.578
local terms energy: -66.528100
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -184.779201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.779201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.779201 (E_RNA)
where:
Base-Base interactions energy: -128.505
where: short stacking energy: -52.314
Base-Backbone interact. energy: -0.014
local terms energy: -56.259436
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -6.616
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -12.642
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: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -79.090762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.090762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.090762 (E_RNA)
where:
Base-Base interactions energy: -30.099
where: short stacking energy: -24.916
Base-Backbone interact. energy: 0.076
local terms energy: -49.068270
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -90.834266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.834266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.834266 (E_RNA)
where:
Base-Base interactions energy: -36.805
where: short stacking energy: -32.555
Base-Backbone interact. energy: -0.448
local terms energy: -53.581341
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -8.869
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: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -75.298521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.298521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.298521 (E_RNA)
where:
Base-Base interactions energy: -30.954
where: short stacking energy: -30.954
Base-Backbone interact. energy: -0.199
local terms energy: -44.145281
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -7.539
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -218.127117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.127117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.127117 (E_RNA)
where:
Base-Base interactions energy: -140.834
where: short stacking energy: -66.677
Base-Backbone interact. energy: -0.038
local terms energy: -77.255642
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -217.097676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.097676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.097676 (E_RNA)
where:
Base-Base interactions energy: -147.057
where: short stacking energy: -56.033
Base-Backbone interact. energy: -0.081
local terms energy: -69.959829
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -203.143642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.143642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.143642 (E_RNA)
where:
Base-Base interactions energy: -137.537
where: short stacking energy: -62.672
Base-Backbone interact. energy: -0.003
local terms energy: -65.602723
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -14.598
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: 1
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -198.376899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.376899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.376899 (E_RNA)
where:
Base-Base interactions energy: -132.754
where: short stacking energy: -53.494
Base-Backbone interact. energy: -0.871
local terms energy: -64.751836
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -196.363201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.363201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.363201 (E_RNA)
where:
Base-Base interactions energy: -131.208
where: short stacking energy: -58.133
Base-Backbone interact. energy: -0.005
local terms energy: -65.150055
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -159.530579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.530579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.530579 (E_RNA)
where:
Base-Base interactions energy: -101.559
where: short stacking energy: -53.878
Base-Backbone interact. energy: -0.887
local terms energy: -57.084539
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -6.375
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: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -197.036265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.036265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.036265 (E_RNA)
where:
Base-Base interactions energy: -139.584
where: short stacking energy: -41.057
Base-Backbone interact. energy: -0.198
local terms energy: -57.253467
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -8.273
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: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -98.826825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.826825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.826825 (E_RNA)
where:
Base-Base interactions energy: -50.898
where: short stacking energy: -31.756
Base-Backbone interact. energy: 0.038
local terms energy: -47.966973
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -4.381
flat angles P-C4'-P energy: -9.736
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: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -80.799857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.799857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.799857 (E_RNA)
where:
Base-Base interactions energy: -24.314
where: short stacking energy: -23.063
Base-Backbone interact. energy: -0.069
local terms energy: -56.417333
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -3.541
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: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -77.224684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.224684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.224684 (E_RNA)
where:
Base-Base interactions energy: -25.850
where: short stacking energy: -21.810
Base-Backbone interact. energy: -0.596
local terms energy: -50.778315
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -4.811
flat angles P-C4'-P energy: -9.934
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: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -218.093436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.093436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.093436 (E_RNA)
where:
Base-Base interactions energy: -144.168
where: short stacking energy: -60.594
Base-Backbone interact. energy: -0.268
local terms energy: -73.656863
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -224.514616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.514616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.514616 (E_RNA)
where:
Base-Base interactions energy: -151.914
where: short stacking energy: -67.037
Base-Backbone interact. energy: 1.789
local terms energy: -74.389409
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -17.679
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: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -210.099714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.099714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.099714 (E_RNA)
where:
Base-Base interactions energy: -133.479
where: short stacking energy: -55.057
Base-Backbone interact. energy: -0.763
local terms energy: -75.857346
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -18.323
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: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -206.994555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.994555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.994555 (E_RNA)
where:
Base-Base interactions energy: -125.908
where: short stacking energy: -62.634
Base-Backbone interact. energy: -0.002
local terms energy: -81.084791
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -21.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -202.786004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.786004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.786004 (E_RNA)
where:
Base-Base interactions energy: -132.367
where: short stacking energy: -50.065
Base-Backbone interact. energy: 0.366
local terms energy: -70.785338
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -18.951
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: 6
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -172.364268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.364268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.364268 (E_RNA)
where:
Base-Base interactions energy: -110.135
where: short stacking energy: -50.302
Base-Backbone interact. energy: 0.495
local terms energy: -62.724531
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -126.961368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.961368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.961368 (E_RNA)
where:
Base-Base interactions energy: -73.557
where: short stacking energy: -38.789
Base-Backbone interact. energy: 2.660
local terms energy: -56.063483
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -77.180437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.180437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.180437 (E_RNA)
where:
Base-Base interactions energy: -32.695
where: short stacking energy: -23.740
Base-Backbone interact. energy: 0.291
local terms energy: -44.776178
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -80.003360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.003360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.003360 (E_RNA)
where:
Base-Base interactions energy: -33.131
where: short stacking energy: -26.426
Base-Backbone interact. energy: 0.804
local terms energy: -47.676001
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -7.156
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -82.747799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.747799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.747799 (E_RNA)
where:
Base-Base interactions energy: -27.280
where: short stacking energy: -27.280
Base-Backbone interact. energy: -0.009
local terms energy: -55.458835
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -220.788870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.788870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.788870 (E_RNA)
where:
Base-Base interactions energy: -139.693
where: short stacking energy: -63.320
Base-Backbone interact. energy: -0.512
local terms energy: -80.583776
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -216.752471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.752471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.752471 (E_RNA)
where:
Base-Base interactions energy: -144.718
where: short stacking energy: -68.562
Base-Backbone interact. energy: -0.151
local terms energy: -71.883324
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -19.686
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: 496
Temperature: 1.000000
Total energy: -219.166059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.166059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.166059 (E_RNA)
where:
Base-Base interactions energy: -139.891
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.091
local terms energy: -79.183458
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -204.171944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.171944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.171944 (E_RNA)
where:
Base-Base interactions energy: -132.901
where: short stacking energy: -62.445
Base-Backbone interact. energy: -0.001
local terms energy: -71.270404
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -199.607298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.607298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.607298 (E_RNA)
where:
Base-Base interactions energy: -138.087
where: short stacking energy: -57.464
Base-Backbone interact. energy: -0.030
local terms energy: -61.490457
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -11.109
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: 6, replica: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -198.362876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.362876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.362876 (E_RNA)
where:
Base-Base interactions energy: -136.505
where: short stacking energy: -67.053
Base-Backbone interact. energy: -0.727
local terms energy: -61.130974
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -94.734493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.734493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.734493 (E_RNA)
where:
Base-Base interactions energy: -53.675
where: short stacking energy: -36.453
Base-Backbone interact. energy: -0.231
local terms energy: -40.828821
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -9.592
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -84.402129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.402129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.402129 (E_RNA)
where:
Base-Base interactions energy: -41.394
where: short stacking energy: -33.662
Base-Backbone interact. energy: -0.485
local terms energy: -42.523077
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -87.199346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.199346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.199346 (E_RNA)
where:
Base-Base interactions energy: -37.007
where: short stacking energy: -35.991
Base-Backbone interact. energy: -0.255
local terms energy: -49.937344
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -78.274066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.274066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.274066 (E_RNA)
where:
Base-Base interactions energy: -26.416
where: short stacking energy: -12.366
Base-Backbone interact. energy: -1.368
local terms energy: -50.489945
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -226.800493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.800493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.800493 (E_RNA)
where:
Base-Base interactions energy: -158.257
where: short stacking energy: -62.880
Base-Backbone interact. energy: -0.584
local terms energy: -67.959308
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -15.559
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: 2, replica: 10
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -221.508493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.508493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.508493 (E_RNA)
where:
Base-Base interactions energy: -143.500
where: short stacking energy: -67.792
Base-Backbone interact. energy: -0.008
local terms energy: -78.000555
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -19.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -212.734192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.734192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.734192 (E_RNA)
where:
Base-Base interactions energy: -141.904
where: short stacking energy: -66.324
Base-Backbone interact. energy: 0.656
local terms energy: -71.485842
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -197.266694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.266694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.266694 (E_RNA)
where:
Base-Base interactions energy: -132.334
where: short stacking energy: -56.486
Base-Backbone interact. energy: -0.557
local terms energy: -64.375536
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -13.419
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: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -192.479142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.479142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.479142 (E_RNA)
where:
Base-Base interactions energy: -124.004
where: short stacking energy: -37.694
Base-Backbone interact. energy: -0.744
local terms energy: -67.731386
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -7.014
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: 497
Temperature: 1.150000
Total energy: -181.746974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.746974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.746974 (E_RNA)
where:
Base-Base interactions energy: -117.847
where: short stacking energy: -51.587
Base-Backbone interact. energy: -0.022
local terms energy: -63.878513
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -14.017
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: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -89.411913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.411913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.411913 (E_RNA)
where:
Base-Base interactions energy: -37.525
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.209
local terms energy: -51.678395
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -78.307229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.307229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.307229 (E_RNA)
where:
Base-Base interactions energy: -31.602
where: short stacking energy: -21.553
Base-Backbone interact. energy: -0.020
local terms energy: -46.685020
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -10.079
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: 9, replica: 5
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -77.879436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.879436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.879436 (E_RNA)
where:
Base-Base interactions energy: -32.594
where: short stacking energy: -19.405
Base-Backbone interact. energy: -0.220
local terms energy: -45.065463
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -10.340
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: 10, replica: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -90.385399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.385399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.385399 (E_RNA)
where:
Base-Base interactions energy: -28.335
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.103
local terms energy: -61.948168
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -8.802
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: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -227.793619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.793619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.793619 (E_RNA)
where:
Base-Base interactions energy: -155.508
where: short stacking energy: -67.790
Base-Backbone interact. energy: -0.009
local terms energy: -72.276534
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -217.915662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.915662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.915662 (E_RNA)
where:
Base-Base interactions energy: -150.602
where: short stacking energy: -66.998
Base-Backbone interact. energy: -0.003
local terms energy: -67.310669
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -216.970222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.970222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.970222 (E_RNA)
where:
Base-Base interactions energy: -145.360
where: short stacking energy: -64.894
Base-Backbone interact. energy: -0.054
local terms energy: -71.556075
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -19.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -207.384071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.384071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.384071 (E_RNA)
where:
Base-Base interactions energy: -136.725
where: short stacking energy: -50.692
Base-Backbone interact. energy: -0.097
local terms energy: -70.562336
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -202.265054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.265054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.265054 (E_RNA)
where:
Base-Base interactions energy: -137.142
where: short stacking energy: -57.995
Base-Backbone interact. energy: -0.300
local terms energy: -64.822898
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -165.306936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.306936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.306936 (E_RNA)
where:
Base-Base interactions energy: -102.349
where: short stacking energy: -44.675
Base-Backbone interact. energy: -0.250
local terms energy: -62.708559
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -92.748001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.748001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.748001 (E_RNA)
where:
Base-Base interactions energy: -38.806
where: short stacking energy: -38.082
Base-Backbone interact. energy: -0.040
local terms energy: -53.901934
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -10.519
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: 9
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -94.134728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.134728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.134728 (E_RNA)
where:
Base-Base interactions energy: -41.286
where: short stacking energy: -29.593
Base-Backbone interact. energy: -0.379
local terms energy: -52.469284
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -5.997
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: 9, replica: 5
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -78.177634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.177634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.177634 (E_RNA)
where:
Base-Base interactions energy: -35.975
where: short stacking energy: -22.558
Base-Backbone interact. energy: -0.161
local terms energy: -42.041287
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -7.671
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -96.322064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.322064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.322064 (E_RNA)
where:
Base-Base interactions energy: -61.851
where: short stacking energy: -36.433
Base-Backbone interact. energy: 0.013
local terms energy: -34.483759
where:
bonds (distance) C4'-P energy: -3.510
bonds (distance) P-C4' energy: -9.577
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -4.693
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: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -222.584431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.584431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.584431 (E_RNA)
where:
Base-Base interactions energy: -156.376
where: short stacking energy: -64.705
Base-Backbone interact. energy: -0.629
local terms energy: -65.579472
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -230.240010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.240010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.240010 (E_RNA)
where:
Base-Base interactions energy: -152.618
where: short stacking energy: -67.177
Base-Backbone interact. energy: -0.034
local terms energy: -77.587829
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -220.247536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.247536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.247536 (E_RNA)
where:
Base-Base interactions energy: -143.318
where: short stacking energy: -66.604
Base-Backbone interact. energy: -0.071
local terms energy: -76.858341
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -21.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -205.916326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.916326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.916326 (E_RNA)
where:
Base-Base interactions energy: -136.835
where: short stacking energy: -61.877
Base-Backbone interact. energy: -0.035
local terms energy: -69.047257
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -196.588054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.588054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.588054 (E_RNA)
where:
Base-Base interactions energy: -131.268
where: short stacking energy: -53.625
Base-Backbone interact. energy: -0.680
local terms energy: -64.639400
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -171.623872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.623872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.623872 (E_RNA)
where:
Base-Base interactions energy: -110.070
where: short stacking energy: -48.532
Base-Backbone interact. energy: -0.117
local terms energy: -61.437067
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -13.445
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: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -94.026924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.026924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.026924 (E_RNA)
where:
Base-Base interactions energy: -37.315
where: short stacking energy: -25.302
Base-Backbone interact. energy: -0.257
local terms energy: -56.454460
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -8.050
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: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -99.078205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.078205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.078205 (E_RNA)
where:
Base-Base interactions energy: -41.089
where: short stacking energy: -31.010
Base-Backbone interact. energy: -0.108
local terms energy: -57.880830
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -87.543700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.543700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.543700 (E_RNA)
where:
Base-Base interactions energy: -42.648
where: short stacking energy: -25.494
Base-Backbone interact. energy: -0.095
local terms energy: -44.801472
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -83.697719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.697719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.697719 (E_RNA)
where:
Base-Base interactions energy: -34.106
where: short stacking energy: -23.975
Base-Backbone interact. energy: 0.167
local terms energy: -49.759382
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -230.024605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.024605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.024605 (E_RNA)
where:
Base-Base interactions energy: -155.304
where: short stacking energy: -63.390
Base-Backbone interact. energy: 0.172
local terms energy: -74.892655
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -220.181447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.181447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.181447 (E_RNA)
where:
Base-Base interactions energy: -144.254
where: short stacking energy: -69.205
Base-Backbone interact. energy: -0.021
local terms energy: -75.906348
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -217.250581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.250581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.250581 (E_RNA)
where:
Base-Base interactions energy: -144.836
where: short stacking energy: -58.481
Base-Backbone interact. energy: -0.465
local terms energy: -71.949917
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -20.080
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: 500
Temperature: 1.050000
Total energy: -215.295518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.295518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.295518 (E_RNA)
where:
Base-Base interactions energy: -139.894
where: short stacking energy: -52.556
Base-Backbone interact. energy: -0.038
local terms energy: -75.363708
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -195.690893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.690893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.690893 (E_RNA)
where:
Base-Base interactions energy: -134.091
where: short stacking energy: -47.694
Base-Backbone interact. energy: -0.089
local terms energy: -61.511318
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -16.312
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: 500
Temperature: 1.150000
Total energy: -186.630259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.630259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.630259 (E_RNA)
where:
Base-Base interactions energy: -124.047
where: short stacking energy: -44.308
Base-Backbone interact. energy: -0.137
local terms energy: -62.445609
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -93.551715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.551715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.551715 (E_RNA)
where:
Base-Base interactions energy: -39.127
where: short stacking energy: -39.127
Base-Backbone interact. energy: 0.114
local terms energy: -54.538711
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -80.042272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.042272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.042272 (E_RNA)
where:
Base-Base interactions energy: -40.310
where: short stacking energy: -20.153
Base-Backbone interact. energy: -0.047
local terms energy: -39.685685
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -8.391
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -2.809
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: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -94.470031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.470031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.470031 (E_RNA)
where:
Base-Base interactions energy: -37.905
where: short stacking energy: -26.665
Base-Backbone interact. energy: -0.074
local terms energy: -56.491168
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -6.727
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: 10, replica: 9
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -87.780165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.780165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.780165 (E_RNA)
where:
Base-Base interactions energy: -42.104
where: short stacking energy: -27.004
Base-Backbone interact. energy: 0.631
local terms energy: -46.306563
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -7.890
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -2.559
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: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -229.909188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.909188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.909188 (E_RNA)
where:
Base-Base interactions energy: -152.682
where: short stacking energy: -65.255
Base-Backbone interact. energy: -0.309
local terms energy: -76.918118
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -208.941273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.941273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.941273 (E_RNA)
where:
Base-Base interactions energy: -137.956
where: short stacking energy: -51.142
Base-Backbone interact. energy: -2.240
local terms energy: -68.745150
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -218.541232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.541232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.541232 (E_RNA)
where:
Base-Base interactions energy: -142.013
where: short stacking energy: -70.301
Base-Backbone interact. energy: -0.764
local terms energy: -75.764200
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -23.154
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: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -193.662471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.662471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.662471 (E_RNA)
where:
Base-Base interactions energy: -134.014
where: short stacking energy: -55.854
Base-Backbone interact. energy: -1.269
local terms energy: -58.379514
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -206.452002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.452002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.452002 (E_RNA)
where:
Base-Base interactions energy: -132.675
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.760
local terms energy: -73.017063
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -176.766199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.766199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.766199 (E_RNA)
where:
Base-Base interactions energy: -115.361
where: short stacking energy: -42.651
Base-Backbone interact. energy: -1.360
local terms energy: -60.044375
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -7.236
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -10.036
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: 7
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -89.145677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.145677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.145677 (E_RNA)
where:
Base-Base interactions energy: -31.920
where: short stacking energy: -31.404
Base-Backbone interact. energy: 2.092
local terms energy: -59.317772
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -102.883928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.883928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.883928 (E_RNA)
where:
Base-Base interactions energy: -42.057
where: short stacking energy: -27.952
Base-Backbone interact. energy: -0.073
local terms energy: -60.753807
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -102.263245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.263245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.263245 (E_RNA)
where:
Base-Base interactions energy: -40.417
where: short stacking energy: -29.373
Base-Backbone interact. energy: -1.430
local terms energy: -60.416302
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -6.837
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: 10, replica: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -75.831587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.831587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.831587 (E_RNA)
where:
Base-Base interactions energy: -22.985
where: short stacking energy: -22.985
Base-Backbone interact. energy: -0.713
local terms energy: -52.133522
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 1 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 14257545
moves confirmed later: 16223463
all moves confirmed: 30481008
percent of confirmed moves: 3.810126
current total energy: -183.817862
recalc. total energy: -183.817862
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 18560326
moves confirmed later: 21947608
all moves confirmed: 40507934
percent of confirmed moves: 5.063492
current total energy: -207.537287
recalc. total energy: -207.537287
replica 3 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 15745335
moves confirmed later: 18228062
all moves confirmed: 33973397
percent of confirmed moves: 4.246675
current total energy: -183.513758
recalc. total energy: -183.513758
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 23242671
moves confirmed later: 28207542
all moves confirmed: 51450213
percent of confirmed moves: 6.431277
current total energy: -155.374972
recalc. total energy: -155.374972
replica 2 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 15236522
moves confirmed later: 17546083
all moves confirmed: 32782605
percent of confirmed moves: 4.097826
current total energy: -144.131696
recalc. total energy: -144.131696
replica 10 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 19901003
moves confirmed later: 23795759
all moves confirmed: 43696762
percent of confirmed moves: 5.462095
current total energy: -141.583480
recalc. total energy: -141.583480
replica 7 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 21575562
moves confirmed later: 26029843
all moves confirmed: 47605405
percent of confirmed moves: 5.950676
current total energy: -49.032637
recalc. total energy: -49.032637
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 20091719
moves confirmed later: 24020925
all moves confirmed: 44112644
percent of confirmed moves: 5.514081
current total energy: -30.560902
recalc. total energy: -30.560902
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 19275940
moves confirmed later: 22918985
all moves confirmed: 42194925
percent of confirmed moves: 5.274366
current total energy: -30.397160
recalc. total energy: -30.397160
replica 5 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 15768474
moves confirmed later: 18273303
all moves confirmed: 34041777
percent of confirmed moves: 4.255222
current total energy: -44.371296
recalc. total energy: -44.371296
out arg RESULTS//1/d2-6e43acf9_01
Time of doing 8000000 iterations: 4005.969 seconds