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/ALKV-26630dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ALKV-26630dac/inputs/seq.fa: 1
curr_seq: _UGGUGCUGGGAACACGGAAGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUGGGAACACGGAAGAU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/ALKV-26630dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ALKV-26630dac/inputs/seq.fa: 1
curr_seq: _UGGUGCUGGGAACACGGAAGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUGGGAACACGGAAGAU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/ALKV-26630dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ALKV-26630dac/inputs/seq.fa: 1
curr_seq: _UGGUGCUGGGAACACGGAAGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUGGGAACACGGAAGAU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/ALKV-26630dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ALKV-26630dac/inputs/seq.fa: 1
curr_seq: _UGGUGCUGGGAACACGGAAGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUGGGAACACGGAAGAU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/ALKV-26630dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ALKV-26630dac/inputs/seq.fa: 1
curr_seq: _UGGUGCUGGGAACACGGAAGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUGGGAACACGGAAGAU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/ALKV-26630dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ALKV-26630dac/inputs/seq.fa: 1
curr_seq: _UGGUGCUGGGAACACGGAAGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUGGGAACACGGAAGAU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/ALKV-26630dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ALKV-26630dac/inputs/seq.fa: 1
curr_seq: _UGGUGCUGGGAACACGGAAGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUGGGAACACGGAAGAU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/ALKV-26630dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ALKV-26630dac/inputs/seq.fa: 1
curr_seq: _UGGUGCUGGGAACACGGAAGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUGGGAACACGGAAGAU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/ALKV-26630dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ALKV-26630dac/inputs/seq.fa: 1
curr_seq: _UGGUGCUGGGAACACGGAAGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUGGGAACACGGAAGAU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/ALKV-26630dac/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ALKV-26630dac/inputs/seq.fa: 1
curr_seq: _UGGUGCUGGGAACACGGAAGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUGGGAACACGGAAGAU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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: -82.349248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349248 (E_RNA)
where:
Base-Base interactions energy: -0.474
where: short stacking energy: -0.474
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -82.349248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349248 (E_RNA)
where:
Base-Base interactions energy: -0.474
where: short stacking energy: -0.474
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -82.349248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349248 (E_RNA)
where:
Base-Base interactions energy: -0.474
where: short stacking energy: -0.474
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -82.349248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349248 (E_RNA)
where:
Base-Base interactions energy: -0.474
where: short stacking energy: -0.474
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -82.349248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349248 (E_RNA)
where:
Base-Base interactions energy: -0.474
where: short stacking energy: -0.474
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -82.349248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349248 (E_RNA)
where:
Base-Base interactions energy: -0.474
where: short stacking energy: -0.474
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -82.349248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349248 (E_RNA)
where:
Base-Base interactions energy: -0.474
where: short stacking energy: -0.474
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -82.349248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349248 (E_RNA)
where:
Base-Base interactions energy: -0.474
where: short stacking energy: -0.474
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -82.349248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349248 (E_RNA)
where:
Base-Base interactions energy: -0.474
where: short stacking energy: -0.474
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -82.349248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349248 (E_RNA)
where:
Base-Base interactions energy: -0.474
where: short stacking energy: -0.474
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -146.748143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.748143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.748143 (E_RNA)
where:
Base-Base interactions energy: -71.272
where: short stacking energy: -71.272
Base-Backbone interact. energy: -0.100
local terms energy: -75.375210
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -10.289
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -131.595546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.595546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.595546 (E_RNA)
where:
Base-Base interactions energy: -71.671
where: short stacking energy: -50.317
Base-Backbone interact. energy: 1.063
local terms energy: -60.987180
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -9.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -130.512593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.512593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.512593 (E_RNA)
where:
Base-Base interactions energy: -59.114
where: short stacking energy: -59.114
Base-Backbone interact. energy: 0.204
local terms energy: -71.603004
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -110.314901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.314901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.314901 (E_RNA)
where:
Base-Base interactions energy: -45.719
where: short stacking energy: -44.624
Base-Backbone interact. energy: -0.178
local terms energy: -64.417894
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -5.949
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -130.859076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.859076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.859076 (E_RNA)
where:
Base-Base interactions energy: -79.163
where: short stacking energy: -30.476
Base-Backbone interact. energy: -0.612
local terms energy: -51.083864
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -5.678
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -108.276028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.276028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.276028 (E_RNA)
where:
Base-Base interactions energy: -50.413
where: short stacking energy: -25.508
Base-Backbone interact. energy: -0.458
local terms energy: -57.405043
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: 0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -113.067729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.067729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.067729 (E_RNA)
where:
Base-Base interactions energy: -65.150
where: short stacking energy: -23.625
Base-Backbone interact. energy: -0.243
local terms energy: -47.675505
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -9.560
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -86.273117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.273117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.273117 (E_RNA)
where:
Base-Base interactions energy: -35.514
where: short stacking energy: -33.807
Base-Backbone interact. energy: -0.261
local terms energy: -50.498059
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -91.727033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.727033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.727033 (E_RNA)
where:
Base-Base interactions energy: -43.947
where: short stacking energy: -22.964
Base-Backbone interact. energy: -0.228
local terms energy: -47.551906
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -86.689308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.689308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.689308 (E_RNA)
where:
Base-Base interactions energy: -43.942
where: short stacking energy: -32.024
Base-Backbone interact. energy: -0.266
local terms energy: -42.480972
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -5.641
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -141.670708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.670708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.670708 (E_RNA)
where:
Base-Base interactions energy: -64.680
where: short stacking energy: -63.848
Base-Backbone interact. energy: -0.001
local terms energy: -76.989431
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -150.087488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.087488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.087488 (E_RNA)
where:
Base-Base interactions energy: -86.563
where: short stacking energy: -50.546
Base-Backbone interact. energy: -0.219
local terms energy: -63.306320
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -7.746
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -145.848168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.848168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.848168 (E_RNA)
where:
Base-Base interactions energy: -77.814
where: short stacking energy: -55.428
Base-Backbone interact. energy: -0.824
local terms energy: -67.209851
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -9.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -164.409333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.409333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.409333 (E_RNA)
where:
Base-Base interactions energy: -100.881
where: short stacking energy: -58.698
Base-Backbone interact. energy: -0.124
local terms energy: -63.403451
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -114.214115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.214115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.214115 (E_RNA)
where:
Base-Base interactions energy: -53.324
where: short stacking energy: -38.339
Base-Backbone interact. energy: -0.796
local terms energy: -60.094666
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -11.436
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -154.172617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.172617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.172617 (E_RNA)
where:
Base-Base interactions energy: -94.539
where: short stacking energy: -42.276
Base-Backbone interact. energy: 0.508
local terms energy: -60.141582
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -7.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -113.885220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.885220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.885220 (E_RNA)
where:
Base-Base interactions energy: -53.294
where: short stacking energy: -50.934
Base-Backbone interact. energy: -0.058
local terms energy: -60.533576
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -95.259650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.259650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.259650 (E_RNA)
where:
Base-Base interactions energy: -39.065
where: short stacking energy: -38.356
Base-Backbone interact. energy: -0.125
local terms energy: -56.069268
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -8.211
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -88.291405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.291405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.291405 (E_RNA)
where:
Base-Base interactions energy: -34.526
where: short stacking energy: -34.402
Base-Backbone interact. energy: 0.612
local terms energy: -54.378203
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -10.087
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -85.396794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.396794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.396794 (E_RNA)
where:
Base-Base interactions energy: -39.189
where: short stacking energy: -25.258
Base-Backbone interact. energy: -0.085
local terms energy: -46.122062
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -7.563
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -158.535085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.535085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.535085 (E_RNA)
where:
Base-Base interactions energy: -90.293
where: short stacking energy: -48.385
Base-Backbone interact. energy: -0.491
local terms energy: -67.751534
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -10.059
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -140.630802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.630802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.630802 (E_RNA)
where:
Base-Base interactions energy: -67.668
where: short stacking energy: -55.753
Base-Backbone interact. energy: -0.052
local terms energy: -72.910812
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -182.682953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.682953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.682953 (E_RNA)
where:
Base-Base interactions energy: -122.535
where: short stacking energy: -53.205
Base-Backbone interact. energy: -0.148
local terms energy: -59.999652
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -9.711
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: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -141.328971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.328971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.328971 (E_RNA)
where:
Base-Base interactions energy: -72.123
where: short stacking energy: -60.162
Base-Backbone interact. energy: -0.137
local terms energy: -69.068803
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -171.663376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.663376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.663376 (E_RNA)
where:
Base-Base interactions energy: -106.510
where: short stacking energy: -47.765
Base-Backbone interact. energy: -0.178
local terms energy: -64.975225
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -149.990789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.990789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.990789 (E_RNA)
where:
Base-Base interactions energy: -93.729
where: short stacking energy: -49.244
Base-Backbone interact. energy: 0.038
local terms energy: -56.299559
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -140.775889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.775889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.775889 (E_RNA)
where:
Base-Base interactions energy: -74.745
where: short stacking energy: -39.388
Base-Backbone interact. energy: -0.035
local terms energy: -65.996212
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -79.598625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.598625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.598625 (E_RNA)
where:
Base-Base interactions energy: -42.560
where: short stacking energy: -21.128
Base-Backbone interact. energy: 0.123
local terms energy: -37.162203
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: 3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -89.400129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.400129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.400129 (E_RNA)
where:
Base-Base interactions energy: -42.572
where: short stacking energy: -34.512
Base-Backbone interact. energy: -0.113
local terms energy: -46.715653
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -85.118710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.118710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.118710 (E_RNA)
where:
Base-Base interactions energy: -35.447
where: short stacking energy: -20.946
Base-Backbone interact. energy: -0.164
local terms energy: -49.507847
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -168.264154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.264154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.264154 (E_RNA)
where:
Base-Base interactions energy: -98.421
where: short stacking energy: -52.652
Base-Backbone interact. energy: -0.205
local terms energy: -69.638551
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -15.097
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: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -181.060692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.060692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.060692 (E_RNA)
where:
Base-Base interactions energy: -107.808
where: short stacking energy: -57.843
Base-Backbone interact. energy: -0.579
local terms energy: -72.673586
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -12.232
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: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -134.711308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.711308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.711308 (E_RNA)
where:
Base-Base interactions energy: -57.302
where: short stacking energy: -56.630
Base-Backbone interact. energy: -0.002
local terms energy: -77.406786
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -13.378
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: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -196.126328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.126328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.126328 (E_RNA)
where:
Base-Base interactions energy: -119.247
where: short stacking energy: -52.440
Base-Backbone interact. energy: -1.315
local terms energy: -75.564477
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -14.394
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: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -125.543475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.543475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.543475 (E_RNA)
where:
Base-Base interactions energy: -58.354
where: short stacking energy: -45.829
Base-Backbone interact. energy: -0.139
local terms energy: -67.051216
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -10.225
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: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -160.828177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.828177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.828177 (E_RNA)
where:
Base-Base interactions energy: -96.035
where: short stacking energy: -44.589
Base-Backbone interact. energy: -0.003
local terms energy: -64.790179
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -13.415
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: 5
Temperature: 1.200000
Total energy: -137.377993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.377993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.377993 (E_RNA)
where:
Base-Base interactions energy: -86.302
where: short stacking energy: -48.130
Base-Backbone interact. energy: -0.144
local terms energy: -50.932267
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -3.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -97.693368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.693368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.693368 (E_RNA)
where:
Base-Base interactions energy: -38.535
where: short stacking energy: -36.404
Base-Backbone interact. energy: 1.176
local terms energy: -60.334670
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -88.494003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.494003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.494003 (E_RNA)
where:
Base-Base interactions energy: -36.896
where: short stacking energy: -36.778
Base-Backbone interact. energy: -0.012
local terms energy: -51.585932
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -82.756932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.756932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.756932 (E_RNA)
where:
Base-Base interactions energy: -37.549
where: short stacking energy: -37.543
Base-Backbone interact. energy: -0.034
local terms energy: -45.174311
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -7.551
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -170.522722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.522722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.522722 (E_RNA)
where:
Base-Base interactions energy: -93.580
where: short stacking energy: -64.634
Base-Backbone interact. energy: -0.198
local terms energy: -76.744952
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -13.390
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: 2, replica: 5
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -173.449350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.449350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.449350 (E_RNA)
where:
Base-Base interactions energy: -104.516
where: short stacking energy: -48.996
Base-Backbone interact. energy: -0.014
local terms energy: -68.919865
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -207.443583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.443583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.443583 (E_RNA)
where:
Base-Base interactions energy: -132.472
where: short stacking energy: -50.016
Base-Backbone interact. energy: -0.546
local terms energy: -74.426002
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -10.287
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: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -102.444755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.444755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.444755 (E_RNA)
where:
Base-Base interactions energy: -44.370
where: short stacking energy: -42.829
Base-Backbone interact. energy: -0.084
local terms energy: -57.990646
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -162.933638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.933638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.933638 (E_RNA)
where:
Base-Base interactions energy: -103.212
where: short stacking energy: -52.392
Base-Backbone interact. energy: -0.877
local terms energy: -58.844203
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -11.946
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: 3
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -147.989854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.989854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.989854 (E_RNA)
where:
Base-Base interactions energy: -95.281
where: short stacking energy: -60.580
Base-Backbone interact. energy: -0.007
local terms energy: -52.702515
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -5.917
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: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -135.193228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.193228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.193228 (E_RNA)
where:
Base-Base interactions energy: -74.011
where: short stacking energy: -46.348
Base-Backbone interact. energy: 0.398
local terms energy: -61.580487
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -97.305867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.305867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.305867 (E_RNA)
where:
Base-Base interactions energy: -33.994
where: short stacking energy: -35.494
Base-Backbone interact. energy: -1.190
local terms energy: -62.122075
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -86.780600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.780600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.780600 (E_RNA)
where:
Base-Base interactions energy: -36.330
where: short stacking energy: -35.548
Base-Backbone interact. energy: -0.058
local terms energy: -50.393321
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -2.652
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: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -79.505646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.505646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.505646 (E_RNA)
where:
Base-Base interactions energy: -32.099
where: short stacking energy: -28.757
Base-Backbone interact. energy: 4.390
local terms energy: -51.796855
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -7.860
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: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -176.522461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.522461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.522461 (E_RNA)
where:
Base-Base interactions energy: -102.960
where: short stacking energy: -64.896
Base-Backbone interact. energy: 0.548
local terms energy: -74.111126
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -214.373226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.373226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.373226 (E_RNA)
where:
Base-Base interactions energy: -150.223
where: short stacking energy: -57.606
Base-Backbone interact. energy: -0.110
local terms energy: -64.039820
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -14.341
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: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -188.182652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.182652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.182652 (E_RNA)
where:
Base-Base interactions energy: -114.781
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.542
local terms energy: -72.859286
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -177.990510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.990510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.990510 (E_RNA)
where:
Base-Base interactions energy: -116.026
where: short stacking energy: -42.760
Base-Backbone interact. energy: -0.275
local terms energy: -61.689074
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -117.752659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.752659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.752659 (E_RNA)
where:
Base-Base interactions energy: -58.210
where: short stacking energy: -27.037
Base-Backbone interact. energy: -0.127
local terms energy: -59.414791
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -140.054961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.054961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.054961 (E_RNA)
where:
Base-Base interactions energy: -72.056
where: short stacking energy: -42.902
Base-Backbone interact. energy: -0.077
local terms energy: -67.921529
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -9.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -160.945325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.945325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.945325 (E_RNA)
where:
Base-Base interactions energy: -93.396
where: short stacking energy: -51.295
Base-Backbone interact. energy: -0.317
local terms energy: -67.232331
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -84.970556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.970556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.970556 (E_RNA)
where:
Base-Base interactions energy: -38.487
where: short stacking energy: -38.487
Base-Backbone interact. energy: 2.984
local terms energy: -49.467502
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -2.472
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -92.804502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.804502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.804502 (E_RNA)
where:
Base-Base interactions energy: -36.926
where: short stacking energy: -33.108
Base-Backbone interact. energy: -1.770
local terms energy: -54.108867
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -75.730502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.730502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.730502 (E_RNA)
where:
Base-Base interactions energy: -32.128
where: short stacking energy: -31.988
Base-Backbone interact. energy: -0.074
local terms energy: -43.527952
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -221.795925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.795925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.795925 (E_RNA)
where:
Base-Base interactions energy: -145.266
where: short stacking energy: -69.309
Base-Backbone interact. energy: -0.702
local terms energy: -75.828425
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -160.956951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.956951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.956951 (E_RNA)
where:
Base-Base interactions energy: -86.324
where: short stacking energy: -57.645
Base-Backbone interact. energy: -0.433
local terms energy: -74.199389
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -12.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -186.421393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.421393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.421393 (E_RNA)
where:
Base-Base interactions energy: -118.274
where: short stacking energy: -58.024
Base-Backbone interact. energy: -0.751
local terms energy: -67.396581
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -13.358
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: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -179.629192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.629192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.629192 (E_RNA)
where:
Base-Base interactions energy: -116.340
where: short stacking energy: -53.754
Base-Backbone interact. energy: -0.510
local terms energy: -62.778966
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -9.234
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: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -145.353800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.353800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.353800 (E_RNA)
where:
Base-Base interactions energy: -76.107
where: short stacking energy: -47.583
Base-Backbone interact. energy: -0.586
local terms energy: -68.660645
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -134.973834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.973834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.973834 (E_RNA)
where:
Base-Base interactions energy: -74.556
where: short stacking energy: -37.319
Base-Backbone interact. energy: -0.035
local terms energy: -60.382651
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -8.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -86.130566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.130566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.130566 (E_RNA)
where:
Base-Base interactions energy: -37.192
where: short stacking energy: -22.245
Base-Backbone interact. energy: 0.847
local terms energy: -49.785525
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: 1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -148.558850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.558850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.558850 (E_RNA)
where:
Base-Base interactions energy: -89.655
where: short stacking energy: -45.581
Base-Backbone interact. energy: 0.016
local terms energy: -58.920003
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -96.023255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.023255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.023255 (E_RNA)
where:
Base-Base interactions energy: -48.088
where: short stacking energy: -29.276
Base-Backbone interact. energy: -0.131
local terms energy: -47.803768
where:
bonds (distance) C4'-P energy: -3.272
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -0.310
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: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -79.202254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.202254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.202254 (E_RNA)
where:
Base-Base interactions energy: -28.451
where: short stacking energy: -21.480
Base-Backbone interact. energy: -0.176
local terms energy: -50.575519
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -8.725
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: 1, replica: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -235.942270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.942270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.942270 (E_RNA)
where:
Base-Base interactions energy: -160.230
where: short stacking energy: -62.308
Base-Backbone interact. energy: -1.792
local terms energy: -73.920641
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -189.568937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.568937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.568937 (E_RNA)
where:
Base-Base interactions energy: -120.195
where: short stacking energy: -62.071
Base-Backbone interact. energy: 1.495
local terms energy: -70.868601
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -160.918137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.918137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.918137 (E_RNA)
where:
Base-Base interactions energy: -101.443
where: short stacking energy: -40.651
Base-Backbone interact. energy: -0.019
local terms energy: -59.455629
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -10.839
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: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -194.955944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.955944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.955944 (E_RNA)
where:
Base-Base interactions energy: -125.693
where: short stacking energy: -50.512
Base-Backbone interact. energy: -0.587
local terms energy: -68.675305
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -140.333683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.333683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.333683 (E_RNA)
where:
Base-Base interactions energy: -72.397
where: short stacking energy: -47.232
Base-Backbone interact. energy: -0.715
local terms energy: -67.221953
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -107.937807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.937807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.937807 (E_RNA)
where:
Base-Base interactions energy: -51.706
where: short stacking energy: -36.497
Base-Backbone interact. energy: -0.048
local terms energy: -56.184417
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -9.491
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: 7, replica: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -126.770195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.770195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.770195 (E_RNA)
where:
Base-Base interactions energy: -70.141
where: short stacking energy: -33.834
Base-Backbone interact. energy: 0.768
local terms energy: -57.397676
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -155.058024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.058024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.058024 (E_RNA)
where:
Base-Base interactions energy: -93.694
where: short stacking energy: -37.717
Base-Backbone interact. energy: -0.278
local terms energy: -61.085722
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -9.940
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: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -93.782780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.782780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.782780 (E_RNA)
where:
Base-Base interactions energy: -47.569
where: short stacking energy: -40.957
Base-Backbone interact. energy: -0.142
local terms energy: -46.072000
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -79.470915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.470915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.470915 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -29.695
Base-Backbone interact. energy: -0.372
local terms energy: -49.218572
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -7.061
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: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -236.908030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.908030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.908030 (E_RNA)
where:
Base-Base interactions energy: -167.521
where: short stacking energy: -61.162
Base-Backbone interact. energy: -0.677
local terms energy: -68.710146
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -203.037018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.037018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.037018 (E_RNA)
where:
Base-Base interactions energy: -129.028
where: short stacking energy: -59.655
Base-Backbone interact. energy: -1.771
local terms energy: -72.238739
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -202.502844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.502844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.502844 (E_RNA)
where:
Base-Base interactions energy: -124.613
where: short stacking energy: -47.188
Base-Backbone interact. energy: -0.223
local terms energy: -77.666743
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -129.776987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.776987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.776987 (E_RNA)
where:
Base-Base interactions energy: -66.643
where: short stacking energy: -44.623
Base-Backbone interact. energy: -0.579
local terms energy: -62.555776
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -7.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -147.314537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.314537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.314537 (E_RNA)
where:
Base-Base interactions energy: -89.251
where: short stacking energy: -52.893
Base-Backbone interact. energy: 0.402
local terms energy: -58.465634
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -144.683842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.683842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.683842 (E_RNA)
where:
Base-Base interactions energy: -84.280
where: short stacking energy: -38.179
Base-Backbone interact. energy: -0.362
local terms energy: -60.042444
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -175.077579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.077579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.077579 (E_RNA)
where:
Base-Base interactions energy: -117.297
where: short stacking energy: -54.974
Base-Backbone interact. energy: -0.049
local terms energy: -57.731018
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -10.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -99.880921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.880921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.880921 (E_RNA)
where:
Base-Base interactions energy: -41.529
where: short stacking energy: -39.168
Base-Backbone interact. energy: -0.184
local terms energy: -58.167552
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -107.600203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.600203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.600203 (E_RNA)
where:
Base-Base interactions energy: -45.852
where: short stacking energy: -36.443
Base-Backbone interact. energy: -0.134
local terms energy: -61.613794
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -7.354
flat angles P-C4'-P energy: -3.818
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -78.263099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.263099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.263099 (E_RNA)
where:
Base-Base interactions energy: -32.922
where: short stacking energy: -31.960
Base-Backbone interact. energy: -0.016
local terms energy: -45.325197
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -9.934
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -237.258848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.258848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.258848 (E_RNA)
where:
Base-Base interactions energy: -151.974
where: short stacking energy: -62.059
Base-Backbone interact. energy: -1.994
local terms energy: -83.290793
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -20.177
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: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -212.884866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.884866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.884866 (E_RNA)
where:
Base-Base interactions energy: -139.804
where: short stacking energy: -54.767
Base-Backbone interact. energy: -0.260
local terms energy: -72.820682
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -214.727149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.727149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.727149 (E_RNA)
where:
Base-Base interactions energy: -135.804
where: short stacking energy: -68.494
Base-Backbone interact. energy: -1.639
local terms energy: -77.284703
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -159.867670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.867670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.867670 (E_RNA)
where:
Base-Base interactions energy: -88.368
where: short stacking energy: -57.334
Base-Backbone interact. energy: -0.044
local terms energy: -71.456171
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -118.819332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.819332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.819332 (E_RNA)
where:
Base-Base interactions energy: -50.529
where: short stacking energy: -46.486
Base-Backbone interact. energy: -0.037
local terms energy: -68.253920
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -186.170994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.170994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.170994 (E_RNA)
where:
Base-Base interactions energy: -113.431
where: short stacking energy: -52.389
Base-Backbone interact. energy: -0.010
local terms energy: -72.729249
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -163.854867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.854867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.854867 (E_RNA)
where:
Base-Base interactions energy: -111.074
where: short stacking energy: -43.222
Base-Backbone interact. energy: -0.348
local terms energy: -52.433117
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -94.029554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.029554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.029554 (E_RNA)
where:
Base-Base interactions energy: -35.943
where: short stacking energy: -35.943
Base-Backbone interact. energy: -0.080
local terms energy: -58.007014
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -92.472331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.472331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.472331 (E_RNA)
where:
Base-Base interactions energy: -45.608
where: short stacking energy: -45.204
Base-Backbone interact. energy: -0.189
local terms energy: -46.675278
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -1.134
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: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -102.714460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.714460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.714460 (E_RNA)
where:
Base-Base interactions energy: -45.496
where: short stacking energy: -37.465
Base-Backbone interact. energy: -0.081
local terms energy: -57.137305
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -3.649
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: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -249.712236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.712236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.712236 (E_RNA)
where:
Base-Base interactions energy: -170.148
where: short stacking energy: -70.580
Base-Backbone interact. energy: -1.003
local terms energy: -78.560965
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -14.170
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: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -241.137465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.137465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.137465 (E_RNA)
where:
Base-Base interactions energy: -162.151
where: short stacking energy: -57.886
Base-Backbone interact. energy: -0.389
local terms energy: -78.597650
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -12.827
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: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -198.240239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.240239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.240239 (E_RNA)
where:
Base-Base interactions energy: -127.044
where: short stacking energy: -50.585
Base-Backbone interact. energy: -0.798
local terms energy: -70.397958
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -9.575
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: 4, replica: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -161.397770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.397770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.397770 (E_RNA)
where:
Base-Base interactions energy: -101.233
where: short stacking energy: -54.161
Base-Backbone interact. energy: -0.209
local terms energy: -59.955423
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -9.793
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: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -188.913466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.913466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.913466 (E_RNA)
where:
Base-Base interactions energy: -117.038
where: short stacking energy: -62.495
Base-Backbone interact. energy: -0.038
local terms energy: -71.837654
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -89.419377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.419377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.419377 (E_RNA)
where:
Base-Base interactions energy: -36.790
where: short stacking energy: -29.926
Base-Backbone interact. energy: -0.184
local terms energy: -52.445069
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -155.507046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.507046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.507046 (E_RNA)
where:
Base-Base interactions energy: -96.153
where: short stacking energy: -47.105
Base-Backbone interact. energy: -0.031
local terms energy: -59.322598
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -8.675
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: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -93.732352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.732352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.732352 (E_RNA)
where:
Base-Base interactions energy: -37.524
where: short stacking energy: -37.250
Base-Backbone interact. energy: -0.032
local terms energy: -56.176764
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -105.667918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.667918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.667918 (E_RNA)
where:
Base-Base interactions energy: -56.569
where: short stacking energy: -26.444
Base-Backbone interact. energy: -0.024
local terms energy: -49.075474
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -3.382
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: 1
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -83.468276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.468276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.468276 (E_RNA)
where:
Base-Base interactions energy: -27.484
where: short stacking energy: -23.426
Base-Backbone interact. energy: -0.116
local terms energy: -55.868275
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -7.350
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: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -221.597583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.597583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.597583 (E_RNA)
where:
Base-Base interactions energy: -144.276
where: short stacking energy: -61.873
Base-Backbone interact. energy: -0.611
local terms energy: -76.710645
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -235.299090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.299090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.299090 (E_RNA)
where:
Base-Base interactions energy: -160.495
where: short stacking energy: -65.295
Base-Backbone interact. energy: 0.071
local terms energy: -74.875049
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -13.844
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: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -203.518859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.518859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.518859 (E_RNA)
where:
Base-Base interactions energy: -131.024
where: short stacking energy: -59.374
Base-Backbone interact. energy: -0.363
local terms energy: -72.131417
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -181.718552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.718552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.718552 (E_RNA)
where:
Base-Base interactions energy: -116.802
where: short stacking energy: -63.928
Base-Backbone interact. energy: -0.082
local terms energy: -64.835026
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -7.440
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: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -199.313636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.313636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.313636 (E_RNA)
where:
Base-Base interactions energy: -126.007
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.012
local terms energy: -73.294410
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -12.978
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: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -166.441082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.441082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.441082 (E_RNA)
where:
Base-Base interactions energy: -94.721
where: short stacking energy: -45.443
Base-Backbone interact. energy: -0.065
local terms energy: -71.655750
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -98.702052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.702052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.702052 (E_RNA)
where:
Base-Base interactions energy: -46.317
where: short stacking energy: -31.659
Base-Backbone interact. energy: -0.180
local terms energy: -52.205225
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -87.921618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.921618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.921618 (E_RNA)
where:
Base-Base interactions energy: -31.864
where: short stacking energy: -28.133
Base-Backbone interact. energy: -0.066
local terms energy: -55.990980
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -84.260235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.260235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.260235 (E_RNA)
where:
Base-Base interactions energy: -40.473
where: short stacking energy: -40.028
Base-Backbone interact. energy: -0.195
local terms energy: -43.592364
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -8.743
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: 1
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -87.035871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.035871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.035871 (E_RNA)
where:
Base-Base interactions energy: -35.691
where: short stacking energy: -17.952
Base-Backbone interact. energy: 0.660
local terms energy: -52.004426
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: 1.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -228.829581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.829581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.829581 (E_RNA)
where:
Base-Base interactions energy: -160.851
where: short stacking energy: -68.885
Base-Backbone interact. energy: -0.216
local terms energy: -67.762569
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -234.897536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.897536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.897536 (E_RNA)
where:
Base-Base interactions energy: -156.136
where: short stacking energy: -66.268
Base-Backbone interact. energy: -0.304
local terms energy: -78.457656
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -214.791958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.791958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.791958 (E_RNA)
where:
Base-Base interactions energy: -141.259
where: short stacking energy: -65.452
Base-Backbone interact. energy: -2.168
local terms energy: -71.365194
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -166.420972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.420972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.420972 (E_RNA)
where:
Base-Base interactions energy: -99.700
where: short stacking energy: -52.640
Base-Backbone interact. energy: -0.149
local terms energy: -66.571915
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -195.444061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.444061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.444061 (E_RNA)
where:
Base-Base interactions energy: -124.233
where: short stacking energy: -61.841
Base-Backbone interact. energy: -0.012
local terms energy: -71.198968
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -175.817700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.817700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.817700 (E_RNA)
where:
Base-Base interactions energy: -108.074
where: short stacking energy: -57.006
Base-Backbone interact. energy: 1.104
local terms energy: -68.848051
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -103.444582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.444582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.444582 (E_RNA)
where:
Base-Base interactions energy: -49.237
where: short stacking energy: -36.571
Base-Backbone interact. energy: 0.091
local terms energy: -54.298114
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -0.113
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -87.049571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.049571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.049571 (E_RNA)
where:
Base-Base interactions energy: -28.560
where: short stacking energy: -25.177
Base-Backbone interact. energy: -0.534
local terms energy: -57.955951
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -87.732338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.732338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.732338 (E_RNA)
where:
Base-Base interactions energy: -32.890
where: short stacking energy: -32.890
Base-Backbone interact. energy: -0.031
local terms energy: -54.810867
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -77.991353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.991353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.991353 (E_RNA)
where:
Base-Base interactions energy: -25.942
where: short stacking energy: -17.209
Base-Backbone interact. energy: -0.579
local terms energy: -51.470424
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -236.991233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.991233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.991233 (E_RNA)
where:
Base-Base interactions energy: -164.185
where: short stacking energy: -63.470
Base-Backbone interact. energy: -0.422
local terms energy: -72.384046
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -11.181
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: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -237.659546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.659546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.659546 (E_RNA)
where:
Base-Base interactions energy: -159.654
where: short stacking energy: -68.444
Base-Backbone interact. energy: -1.580
local terms energy: -76.425708
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -220.708272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.708272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.708272 (E_RNA)
where:
Base-Base interactions energy: -138.801
where: short stacking energy: -67.280
Base-Backbone interact. energy: -1.053
local terms energy: -80.853917
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -20.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -182.438356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.438356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.438356 (E_RNA)
where:
Base-Base interactions energy: -113.620
where: short stacking energy: -50.398
Base-Backbone interact. energy: -0.613
local terms energy: -68.205037
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -12.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -161.837786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.837786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.837786 (E_RNA)
where:
Base-Base interactions energy: -96.339
where: short stacking energy: -57.040
Base-Backbone interact. energy: -0.142
local terms energy: -65.356857
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -176.455663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.455663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.455663 (E_RNA)
where:
Base-Base interactions energy: -104.985
where: short stacking energy: -51.489
Base-Backbone interact. energy: -0.490
local terms energy: -70.981055
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -98.008689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.008689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.008689 (E_RNA)
where:
Base-Base interactions energy: -41.126
where: short stacking energy: -28.015
Base-Backbone interact. energy: -0.332
local terms energy: -56.550668
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -97.663891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.663891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.663891 (E_RNA)
where:
Base-Base interactions energy: -35.146
where: short stacking energy: -32.757
Base-Backbone interact. energy: -0.009
local terms energy: -62.509614
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -9.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -105.904450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.904450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.904450 (E_RNA)
where:
Base-Base interactions energy: -44.760
where: short stacking energy: -30.805
Base-Backbone interact. energy: -0.349
local terms energy: -60.795323
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -9.088
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: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -87.563370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.563370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.563370 (E_RNA)
where:
Base-Base interactions energy: -26.662
where: short stacking energy: -26.662
Base-Backbone interact. energy: -0.608
local terms energy: -60.293532
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -253.322600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.322600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.322600 (E_RNA)
where:
Base-Base interactions energy: -171.928
where: short stacking energy: -76.428
Base-Backbone interact. energy: -0.498
local terms energy: -80.896896
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -20.898
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: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -220.423396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.423396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.423396 (E_RNA)
where:
Base-Base interactions energy: -146.437
where: short stacking energy: -60.904
Base-Backbone interact. energy: -0.093
local terms energy: -73.893342
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -220.909036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.909036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.909036 (E_RNA)
where:
Base-Base interactions energy: -141.758
where: short stacking energy: -72.380
Base-Backbone interact. energy: -0.933
local terms energy: -78.218507
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -22.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -208.194629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.194629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.194629 (E_RNA)
where:
Base-Base interactions energy: -134.378
where: short stacking energy: -69.799
Base-Backbone interact. energy: -0.045
local terms energy: -73.771380
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -198.267157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.267157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.267157 (E_RNA)
where:
Base-Base interactions energy: -130.767
where: short stacking energy: -43.300
Base-Backbone interact. energy: -0.508
local terms energy: -66.991889
where:
bonds (distance) C4'-P energy: -8.629
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -164.023629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.023629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.023629 (E_RNA)
where:
Base-Base interactions energy: -100.931
where: short stacking energy: -51.846
Base-Backbone interact. energy: -0.302
local terms energy: -62.790838
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -8.451
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: 7, replica: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -120.252258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.252258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.252258 (E_RNA)
where:
Base-Base interactions energy: -56.462
where: short stacking energy: -42.453
Base-Backbone interact. energy: -0.068
local terms energy: -63.722130
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -99.409914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.409914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.409914 (E_RNA)
where:
Base-Base interactions energy: -41.867
where: short stacking energy: -38.371
Base-Backbone interact. energy: -0.795
local terms energy: -56.747764
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -98.182861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.182861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.182861 (E_RNA)
where:
Base-Base interactions energy: -49.244
where: short stacking energy: -36.532
Base-Backbone interact. energy: -1.100
local terms energy: -47.839090
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -6.307
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: 16
Temperature: 1.350000
Total energy: -88.959869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.959869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.959869 (E_RNA)
where:
Base-Base interactions energy: -37.797
where: short stacking energy: -23.370
Base-Backbone interact. energy: -0.452
local terms energy: -50.710471
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -243.081518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.081518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.081518 (E_RNA)
where:
Base-Base interactions energy: -162.396
where: short stacking energy: -64.547
Base-Backbone interact. energy: -0.458
local terms energy: -80.227538
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -221.714981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.714981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.714981 (E_RNA)
where:
Base-Base interactions energy: -157.364
where: short stacking energy: -56.746
Base-Backbone interact. energy: -0.262
local terms energy: -64.089560
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -209.057626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.057626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.057626 (E_RNA)
where:
Base-Base interactions energy: -135.213
where: short stacking energy: -60.756
Base-Backbone interact. energy: -0.986
local terms energy: -72.858768
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -18.656
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: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -210.936813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.936813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.936813 (E_RNA)
where:
Base-Base interactions energy: -143.469
where: short stacking energy: -56.622
Base-Backbone interact. energy: -0.829
local terms energy: -66.639368
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -5.378
flat angles P-C4'-P energy: -11.694
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: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -189.314453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.314453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.314453 (E_RNA)
where:
Base-Base interactions energy: -119.725
where: short stacking energy: -57.947
Base-Backbone interact. energy: -0.037
local terms energy: -69.553007
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -155.200230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.200230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.200230 (E_RNA)
where:
Base-Base interactions energy: -93.946
where: short stacking energy: -51.900
Base-Backbone interact. energy: -0.390
local terms energy: -60.864136
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -12.316
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: 17
Temperature: 1.200000
Total energy: -162.545914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.545914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.545914 (E_RNA)
where:
Base-Base interactions energy: -105.715
where: short stacking energy: -59.819
Base-Backbone interact. energy: -0.186
local terms energy: -56.645016
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -6.685
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -5.759
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: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -86.344690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.344690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.344690 (E_RNA)
where:
Base-Base interactions energy: -33.759
where: short stacking energy: -33.759
Base-Backbone interact. energy: 0.519
local terms energy: -53.104977
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -9.628
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -96.207753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.207753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.207753 (E_RNA)
where:
Base-Base interactions energy: -44.332
where: short stacking energy: -31.914
Base-Backbone interact. energy: -0.073
local terms energy: -51.802482
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -77.728497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.728497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.728497 (E_RNA)
where:
Base-Base interactions energy: -25.230
where: short stacking energy: -22.140
Base-Backbone interact. energy: -0.184
local terms energy: -52.314869
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: 2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -240.807509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.807509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.807509 (E_RNA)
where:
Base-Base interactions energy: -162.505
where: short stacking energy: -68.303
Base-Backbone interact. energy: -0.161
local terms energy: -78.142155
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -11.096
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: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -232.015835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.015835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.015835 (E_RNA)
where:
Base-Base interactions energy: -155.842
where: short stacking energy: -63.284
Base-Backbone interact. energy: -0.130
local terms energy: -76.044233
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -19.499
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: 18
Temperature: 1.000000
Total energy: -224.375389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.375389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.375389 (E_RNA)
where:
Base-Base interactions energy: -156.079
where: short stacking energy: -72.086
Base-Backbone interact. energy: -0.607
local terms energy: -67.689498
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -204.577294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.577294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.577294 (E_RNA)
where:
Base-Base interactions energy: -135.449
where: short stacking energy: -59.978
Base-Backbone interact. energy: -0.493
local terms energy: -68.635449
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -155.798157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.798157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.798157 (E_RNA)
where:
Base-Base interactions energy: -104.266
where: short stacking energy: -55.792
Base-Backbone interact. energy: -0.125
local terms energy: -51.407346
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -8.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -172.120428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.120428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.120428 (E_RNA)
where:
Base-Base interactions energy: -109.774
where: short stacking energy: -51.178
Base-Backbone interact. energy: -0.104
local terms energy: -62.242979
where:
bonds (distance) C4'-P energy: -7.274
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -164.367069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.367069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.367069 (E_RNA)
where:
Base-Base interactions energy: -110.310
where: short stacking energy: -47.925
Base-Backbone interact. energy: -0.047
local terms energy: -54.009361
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -7.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -82.408905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.408905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.408905 (E_RNA)
where:
Base-Base interactions energy: -24.909
where: short stacking energy: -24.909
Base-Backbone interact. energy: -0.108
local terms energy: -57.391591
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -88.812424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.812424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.812424 (E_RNA)
where:
Base-Base interactions energy: -32.503
where: short stacking energy: -29.386
Base-Backbone interact. energy: -0.334
local terms energy: -55.975537
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -78.684758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.684758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.684758 (E_RNA)
where:
Base-Base interactions energy: -31.962
where: short stacking energy: -27.967
Base-Backbone interact. energy: -0.079
local terms energy: -46.643250
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -242.619860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.619860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.619860 (E_RNA)
where:
Base-Base interactions energy: -163.182
where: short stacking energy: -75.157
Base-Backbone interact. energy: -0.410
local terms energy: -79.028047
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -12.622
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: 2, replica: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -231.615510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.615510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.615510 (E_RNA)
where:
Base-Base interactions energy: -157.635
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.875
local terms energy: -73.105011
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -235.469930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.469930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.469930 (E_RNA)
where:
Base-Base interactions energy: -163.075
where: short stacking energy: -65.343
Base-Backbone interact. energy: -0.018
local terms energy: -72.376627
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -166.620410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.620410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.620410 (E_RNA)
where:
Base-Base interactions energy: -96.517
where: short stacking energy: -48.001
Base-Backbone interact. energy: 0.681
local terms energy: -70.783673
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -8.897
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: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -183.900587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.900587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.900587 (E_RNA)
where:
Base-Base interactions energy: -113.193
where: short stacking energy: -49.901
Base-Backbone interact. energy: -1.142
local terms energy: -69.565993
where:
bonds (distance) C4'-P energy: -7.509
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -18.462
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: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -177.018555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.018555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.018555 (E_RNA)
where:
Base-Base interactions energy: -115.759
where: short stacking energy: -49.454
Base-Backbone interact. energy: -0.682
local terms energy: -60.577241
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -11.667
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: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -162.832106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.832106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.832106 (E_RNA)
where:
Base-Base interactions energy: -95.279
where: short stacking energy: -51.043
Base-Backbone interact. energy: -0.739
local terms energy: -66.814277
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -85.959185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.959185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.959185 (E_RNA)
where:
Base-Base interactions energy: -38.213
where: short stacking energy: -31.962
Base-Backbone interact. energy: -1.374
local terms energy: -46.371879
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -91.629761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.629761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.629761 (E_RNA)
where:
Base-Base interactions energy: -32.371
where: short stacking energy: -32.371
Base-Backbone interact. energy: -0.081
local terms energy: -59.178607
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -4.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -76.471604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.471604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.471604 (E_RNA)
where:
Base-Base interactions energy: -27.507
where: short stacking energy: -27.507
Base-Backbone interact. energy: 0.741
local terms energy: -49.705594
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -7.027
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -231.770875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.770875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.770875 (E_RNA)
where:
Base-Base interactions energy: -158.030
where: short stacking energy: -52.342
Base-Backbone interact. energy: -0.775
local terms energy: -72.965831
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -13.281
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: 2, replica: 10
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -221.722635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.722635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.722635 (E_RNA)
where:
Base-Base interactions energy: -152.880
where: short stacking energy: -62.903
Base-Backbone interact. energy: -1.422
local terms energy: -67.421193
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -9.853
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -8.630
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: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -236.092475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.092475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.092475 (E_RNA)
where:
Base-Base interactions energy: -160.575
where: short stacking energy: -67.172
Base-Backbone interact. energy: -0.083
local terms energy: -75.434521
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -159.040739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.040739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.040739 (E_RNA)
where:
Base-Base interactions energy: -101.487
where: short stacking energy: -52.876
Base-Backbone interact. energy: -0.425
local terms energy: -57.128409
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -180.566352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.566352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.566352 (E_RNA)
where:
Base-Base interactions energy: -99.966
where: short stacking energy: -52.541
Base-Backbone interact. energy: -0.025
local terms energy: -80.575453
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -178.279390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.279390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.279390 (E_RNA)
where:
Base-Base interactions energy: -112.717
where: short stacking energy: -54.624
Base-Backbone interact. energy: -0.448
local terms energy: -65.114705
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -10.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -158.693399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.693399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.693399 (E_RNA)
where:
Base-Base interactions energy: -89.365
where: short stacking energy: -45.550
Base-Backbone interact. energy: -0.263
local terms energy: -69.065745
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -9.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -91.966945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.966945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.966945 (E_RNA)
where:
Base-Base interactions energy: -39.213
where: short stacking energy: -37.247
Base-Backbone interact. energy: -0.196
local terms energy: -52.557282
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -92.004393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.004393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.004393 (E_RNA)
where:
Base-Base interactions energy: -39.172
where: short stacking energy: -39.172
Base-Backbone interact. energy: -0.159
local terms energy: -52.673262
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -10.099
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: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -88.787091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.787091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.787091 (E_RNA)
where:
Base-Base interactions energy: -34.929
where: short stacking energy: -34.929
Base-Backbone interact. energy: -0.003
local terms energy: -53.855162
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -8.716
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -7.913
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: 1, replica: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -234.701533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.701533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.701533 (E_RNA)
where:
Base-Base interactions energy: -157.686
where: short stacking energy: -76.895
Base-Backbone interact. energy: -0.414
local terms energy: -76.601664
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -10.685
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: 2, replica: 10
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -220.118815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.118815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.118815 (E_RNA)
where:
Base-Base interactions energy: -155.768
where: short stacking energy: -63.376
Base-Backbone interact. energy: -0.818
local terms energy: -63.533556
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -10.341
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: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -206.821679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.821679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.821679 (E_RNA)
where:
Base-Base interactions energy: -135.965
where: short stacking energy: -54.647
Base-Backbone interact. energy: 0.677
local terms energy: -71.533192
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -12.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -172.017572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.017572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.017572 (E_RNA)
where:
Base-Base interactions energy: -109.360
where: short stacking energy: -55.996
Base-Backbone interact. energy: -0.090
local terms energy: -62.567218
where:
bonds (distance) C4'-P energy: -6.727
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.866
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: 5, replica: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -146.541422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.541422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.541422 (E_RNA)
where:
Base-Base interactions energy: -83.346
where: short stacking energy: -50.213
Base-Backbone interact. energy: -0.322
local terms energy: -62.872675
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -9.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -182.632510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.632510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.632510 (E_RNA)
where:
Base-Base interactions energy: -112.881
where: short stacking energy: -53.560
Base-Backbone interact. energy: -0.500
local terms energy: -69.252118
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -8.994
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: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -159.369111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.369111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.369111 (E_RNA)
where:
Base-Base interactions energy: -101.460
where: short stacking energy: -59.710
Base-Backbone interact. energy: -0.251
local terms energy: -57.657482
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -88.278291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.278291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.278291 (E_RNA)
where:
Base-Base interactions energy: -39.605
where: short stacking energy: -36.046
Base-Backbone interact. energy: -0.315
local terms energy: -48.358284
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -3.782
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -92.386306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.386306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.386306 (E_RNA)
where:
Base-Base interactions energy: -35.796
where: short stacking energy: -29.457
Base-Backbone interact. energy: -0.370
local terms energy: -56.220603
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -7.790
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: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -85.528521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.528521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.528521 (E_RNA)
where:
Base-Base interactions energy: -30.803
where: short stacking energy: -30.803
Base-Backbone interact. energy: -0.051
local terms energy: -54.674187
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -7.190
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -225.398694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.398694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.398694 (E_RNA)
where:
Base-Base interactions energy: -160.047
where: short stacking energy: -56.006
Base-Backbone interact. energy: -1.148
local terms energy: -64.202914
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -237.723145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.723145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.723145 (E_RNA)
where:
Base-Base interactions energy: -162.843
where: short stacking energy: -72.876
Base-Backbone interact. energy: -0.699
local terms energy: -74.181102
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -18.308
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: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -206.031665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.031665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.031665 (E_RNA)
where:
Base-Base interactions energy: -135.307
where: short stacking energy: -59.858
Base-Backbone interact. energy: -0.196
local terms energy: -70.528587
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -183.734682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.734682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.734682 (E_RNA)
where:
Base-Base interactions energy: -114.796
where: short stacking energy: -62.831
Base-Backbone interact. energy: -0.181
local terms energy: -68.757427
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -3.960
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: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -172.955433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.955433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.955433 (E_RNA)
where:
Base-Base interactions energy: -109.230
where: short stacking energy: -63.035
Base-Backbone interact. energy: 1.630
local terms energy: -65.355900
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -13.381
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: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -145.392657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.392657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.392657 (E_RNA)
where:
Base-Base interactions energy: -88.178
where: short stacking energy: -57.682
Base-Backbone interact. energy: -0.123
local terms energy: -57.091791
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -160.362118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.362118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.362118 (E_RNA)
where:
Base-Base interactions energy: -96.290
where: short stacking energy: -46.876
Base-Backbone interact. energy: -0.133
local terms energy: -63.939119
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -92.569462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.569462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.569462 (E_RNA)
where:
Base-Base interactions energy: -42.146
where: short stacking energy: -24.984
Base-Backbone interact. energy: -0.366
local terms energy: -50.057917
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -0.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -90.935887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.935887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.935887 (E_RNA)
where:
Base-Base interactions energy: -33.467
where: short stacking energy: -33.467
Base-Backbone interact. energy: -0.104
local terms energy: -57.365086
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -83.765294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.765294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.765294 (E_RNA)
where:
Base-Base interactions energy: -40.904
where: short stacking energy: -26.388
Base-Backbone interact. energy: -0.182
local terms energy: -42.679232
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -2.711
tors. eta vs tors. theta energy: -1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -231.794757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.794757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.794757 (E_RNA)
where:
Base-Base interactions energy: -156.361
where: short stacking energy: -57.316
Base-Backbone interact. energy: -0.515
local terms energy: -74.918831
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -238.863605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.863605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.863605 (E_RNA)
where:
Base-Base interactions energy: -155.262
where: short stacking energy: -73.080
Base-Backbone interact. energy: -0.324
local terms energy: -83.277427
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -22.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -208.205670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.205670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.205670 (E_RNA)
where:
Base-Base interactions energy: -138.684
where: short stacking energy: -54.676
Base-Backbone interact. energy: -0.141
local terms energy: -69.381270
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -196.631567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.631567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.631567 (E_RNA)
where:
Base-Base interactions energy: -122.303
where: short stacking energy: -59.584
Base-Backbone interact. energy: -0.108
local terms energy: -74.220135
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -151.374317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.374317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.374317 (E_RNA)
where:
Base-Base interactions energy: -90.741
where: short stacking energy: -42.836
Base-Backbone interact. energy: -0.800
local terms energy: -59.832596
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -166.247460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.247460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.247460 (E_RNA)
where:
Base-Base interactions energy: -104.584
where: short stacking energy: -46.871
Base-Backbone interact. energy: -0.373
local terms energy: -61.290373
where:
bonds (distance) C4'-P energy: -8.168
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -156.097202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.097202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.097202 (E_RNA)
where:
Base-Base interactions energy: -97.799
where: short stacking energy: -56.629
Base-Backbone interact. energy: -0.054
local terms energy: -58.244885
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -7.050
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: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -80.593878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.593878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.593878 (E_RNA)
where:
Base-Base interactions energy: -27.838
where: short stacking energy: -19.604
Base-Backbone interact. energy: -0.119
local terms energy: -52.637004
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -94.029831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.029831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.029831 (E_RNA)
where:
Base-Base interactions energy: -40.599
where: short stacking energy: -38.787
Base-Backbone interact. energy: 0.560
local terms energy: -53.990237
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -94.559659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.559659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.559659 (E_RNA)
where:
Base-Base interactions energy: -49.685
where: short stacking energy: -31.826
Base-Backbone interact. energy: -0.085
local terms energy: -44.789698
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -6.868
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -235.396811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.396811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.396811 (E_RNA)
where:
Base-Base interactions energy: -152.610
where: short stacking energy: -73.563
Base-Backbone interact. energy: -0.607
local terms energy: -82.180067
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -22.433
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: 24
Temperature: 0.950000
Total energy: -215.895580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.895580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.895580 (E_RNA)
where:
Base-Base interactions energy: -149.481
where: short stacking energy: -56.558
Base-Backbone interact. energy: -0.779
local terms energy: -65.635857
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -193.878609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.878609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.878609 (E_RNA)
where:
Base-Base interactions energy: -118.960
where: short stacking energy: -52.748
Base-Backbone interact. energy: 0.300
local terms energy: -75.219369
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -188.806707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.806707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.806707 (E_RNA)
where:
Base-Base interactions energy: -120.843
where: short stacking energy: -52.431
Base-Backbone interact. energy: -0.517
local terms energy: -67.446204
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -14.315
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: 24
Temperature: 1.100000
Total energy: -180.019279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.019279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.019279 (E_RNA)
where:
Base-Base interactions energy: -111.743
where: short stacking energy: -56.575
Base-Backbone interact. energy: -0.506
local terms energy: -67.770163
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -12.083
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: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -141.622042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.622042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.622042 (E_RNA)
where:
Base-Base interactions energy: -84.869
where: short stacking energy: -46.091
Base-Backbone interact. energy: -0.225
local terms energy: -56.527366
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -167.643852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.643852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.643852 (E_RNA)
where:
Base-Base interactions energy: -105.321
where: short stacking energy: -51.067
Base-Backbone interact. energy: 1.186
local terms energy: -63.508843
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -8.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -88.370084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.370084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.370084 (E_RNA)
where:
Base-Base interactions energy: -37.253
where: short stacking energy: -35.001
Base-Backbone interact. energy: -0.800
local terms energy: -50.317385
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -3.629
tors. eta vs tors. theta energy: -5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -79.395341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.395341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.395341 (E_RNA)
where:
Base-Base interactions energy: -31.858
where: short stacking energy: -27.956
Base-Backbone interact. energy: 0.050
local terms energy: -47.586677
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -4.842
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: 10, replica: 2
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -84.932691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.932691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.932691 (E_RNA)
where:
Base-Base interactions energy: -30.351
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.237
local terms energy: -54.344539
where:
bonds (distance) C4'-P energy: -7.736
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -244.757012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.757012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.757012 (E_RNA)
where:
Base-Base interactions energy: -167.067
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.401
local terms energy: -77.288817
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -236.807614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.807614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.807614 (E_RNA)
where:
Base-Base interactions energy: -156.435
where: short stacking energy: -69.860
Base-Backbone interact. energy: -1.349
local terms energy: -79.023618
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -20.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -200.117749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.117749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.117749 (E_RNA)
where:
Base-Base interactions energy: -122.849
where: short stacking energy: -72.828
Base-Backbone interact. energy: -0.131
local terms energy: -77.138227
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -182.016382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.016382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.016382 (E_RNA)
where:
Base-Base interactions energy: -122.260
where: short stacking energy: -58.361
Base-Backbone interact. energy: -0.127
local terms energy: -59.629496
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -13.108
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: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -177.778578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.778578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.778578 (E_RNA)
where:
Base-Base interactions energy: -116.563
where: short stacking energy: -50.947
Base-Backbone interact. energy: -0.741
local terms energy: -60.475046
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -11.214
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: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -180.310539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.310539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.310539 (E_RNA)
where:
Base-Base interactions energy: -111.172
where: short stacking energy: -58.389
Base-Backbone interact. energy: -0.111
local terms energy: -69.027622
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -159.428774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.428774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.428774 (E_RNA)
where:
Base-Base interactions energy: -89.182
where: short stacking energy: -41.345
Base-Backbone interact. energy: 0.095
local terms energy: -70.341692
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -11.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -94.606623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.606623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.606623 (E_RNA)
where:
Base-Base interactions energy: -40.327
where: short stacking energy: -32.349
Base-Backbone interact. energy: -0.095
local terms energy: -54.184832
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -95.468878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.468878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.468878 (E_RNA)
where:
Base-Base interactions energy: -40.324
where: short stacking energy: -40.324
Base-Backbone interact. energy: -0.046
local terms energy: -55.098721
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -89.174571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.174571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.174571 (E_RNA)
where:
Base-Base interactions energy: -38.022
where: short stacking energy: -38.022
Base-Backbone interact. energy: -0.182
local terms energy: -50.970950
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -246.759018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.759018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.759018 (E_RNA)
where:
Base-Base interactions energy: -175.106
where: short stacking energy: -67.681
Base-Backbone interact. energy: -1.200
local terms energy: -70.452578
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -236.308266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.308266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.308266 (E_RNA)
where:
Base-Base interactions energy: -156.875
where: short stacking energy: -66.834
Base-Backbone interact. energy: -0.219
local terms energy: -79.214100
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -196.403325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.403325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.403325 (E_RNA)
where:
Base-Base interactions energy: -121.373
where: short stacking energy: -75.451
Base-Backbone interact. energy: -0.111
local terms energy: -74.919326
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -12.958
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: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -185.634053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.634053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.634053 (E_RNA)
where:
Base-Base interactions energy: -116.317
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.031
local terms energy: -69.285399
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -163.856422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.856422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.856422 (E_RNA)
where:
Base-Base interactions energy: -95.547
where: short stacking energy: -52.764
Base-Backbone interact. energy: -0.015
local terms energy: -68.294208
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -12.736
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: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -181.012422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.012422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.012422 (E_RNA)
where:
Base-Base interactions energy: -108.853
where: short stacking energy: -52.670
Base-Backbone interact. energy: -1.531
local terms energy: -70.628882
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -12.009
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: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -137.675984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.675984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.675984 (E_RNA)
where:
Base-Base interactions energy: -80.011
where: short stacking energy: -34.606
Base-Backbone interact. energy: -0.327
local terms energy: -57.338580
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -90.689928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.689928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.689928 (E_RNA)
where:
Base-Base interactions energy: -42.954
where: short stacking energy: -37.465
Base-Backbone interact. energy: 1.083
local terms energy: -48.819381
where:
bonds (distance) C4'-P energy: -7.105
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -89.281373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.281373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.281373 (E_RNA)
where:
Base-Base interactions energy: -41.005
where: short stacking energy: -28.282
Base-Backbone interact. energy: -1.354
local terms energy: -46.923041
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -2.537
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -80.251728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.251728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.251728 (E_RNA)
where:
Base-Base interactions energy: -41.106
where: short stacking energy: -24.622
Base-Backbone interact. energy: 1.626
local terms energy: -40.772253
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -1.451
tors. eta vs tors. theta energy: 0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -242.588385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.588385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.588385 (E_RNA)
where:
Base-Base interactions energy: -160.975
where: short stacking energy: -59.055
Base-Backbone interact. energy: -2.412
local terms energy: -79.200687
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -18.613
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: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -237.164654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.164654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.164654 (E_RNA)
where:
Base-Base interactions energy: -164.231
where: short stacking energy: -69.626
Base-Backbone interact. energy: -0.556
local terms energy: -72.377866
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -192.606406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.606406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.606406 (E_RNA)
where:
Base-Base interactions energy: -123.729
where: short stacking energy: -55.036
Base-Backbone interact. energy: -1.452
local terms energy: -67.425798
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -181.614357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.614357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.614357 (E_RNA)
where:
Base-Base interactions energy: -119.235
where: short stacking energy: -72.704
Base-Backbone interact. energy: -0.069
local terms energy: -62.310383
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -12.802
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: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -187.003241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.003241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.003241 (E_RNA)
where:
Base-Base interactions energy: -109.211
where: short stacking energy: -50.491
Base-Backbone interact. energy: -0.380
local terms energy: -77.412342
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -12.585
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: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -168.147439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.147439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.147439 (E_RNA)
where:
Base-Base interactions energy: -106.132
where: short stacking energy: -41.385
Base-Backbone interact. energy: -0.250
local terms energy: -61.765852
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -137.528505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.528505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.528505 (E_RNA)
where:
Base-Base interactions energy: -79.413
where: short stacking energy: -45.768
Base-Backbone interact. energy: -0.162
local terms energy: -57.953841
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -92.564958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.564958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.564958 (E_RNA)
where:
Base-Base interactions energy: -43.030
where: short stacking energy: -36.128
Base-Backbone interact. energy: -0.141
local terms energy: -49.394372
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -89.209393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.209393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.209393 (E_RNA)
where:
Base-Base interactions energy: -40.484
where: short stacking energy: -29.853
Base-Backbone interact. energy: -0.113
local terms energy: -48.611563
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -81.536058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.536058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.536058 (E_RNA)
where:
Base-Base interactions energy: -28.701
where: short stacking energy: -7.443
Base-Backbone interact. energy: 0.101
local terms energy: -52.935538
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: 1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -239.891740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.891740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.891740 (E_RNA)
where:
Base-Base interactions energy: -163.311
where: short stacking energy: -68.637
Base-Backbone interact. energy: -0.148
local terms energy: -76.433433
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -239.852266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.852266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.852266 (E_RNA)
where:
Base-Base interactions energy: -166.533
where: short stacking energy: -72.936
Base-Backbone interact. energy: -0.084
local terms energy: -73.235036
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -8.927
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: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -209.754295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.754295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.754295 (E_RNA)
where:
Base-Base interactions energy: -133.422
where: short stacking energy: -67.107
Base-Backbone interact. energy: -0.636
local terms energy: -75.696475
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -8.444
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: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -175.510726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.510726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.510726 (E_RNA)
where:
Base-Base interactions energy: -110.689
where: short stacking energy: -58.144
Base-Backbone interact. energy: -0.072
local terms energy: -64.749135
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -10.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -173.236336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.236336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.236336 (E_RNA)
where:
Base-Base interactions energy: -112.881
where: short stacking energy: -45.062
Base-Backbone interact. energy: -0.437
local terms energy: -59.918674
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -193.596229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.596229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.596229 (E_RNA)
where:
Base-Base interactions energy: -135.162
where: short stacking energy: -64.205
Base-Backbone interact. energy: 0.181
local terms energy: -58.615644
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -9.842
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: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -143.596632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.596632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.596632 (E_RNA)
where:
Base-Base interactions energy: -94.831
where: short stacking energy: -34.518
Base-Backbone interact. energy: -0.921
local terms energy: -47.843940
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -9.461
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -106.601048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.601048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.601048 (E_RNA)
where:
Base-Base interactions energy: -44.268
where: short stacking energy: -34.986
Base-Backbone interact. energy: -0.382
local terms energy: -61.951159
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -2.274
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: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -103.009633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.009633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.009633 (E_RNA)
where:
Base-Base interactions energy: -49.319
where: short stacking energy: -39.108
Base-Backbone interact. energy: 0.943
local terms energy: -54.633956
where:
bonds (distance) C4'-P energy: -7.842
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -86.280689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.280689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.280689 (E_RNA)
where:
Base-Base interactions energy: -26.474
where: short stacking energy: -26.474
Base-Backbone interact. energy: 0.597
local terms energy: -60.403824
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -243.079712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.079712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.079712 (E_RNA)
where:
Base-Base interactions energy: -166.915
where: short stacking energy: -69.605
Base-Backbone interact. energy: -0.200
local terms energy: -75.964790
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -20.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -212.715884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.715884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.715884 (E_RNA)
where:
Base-Base interactions energy: -135.299
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.002
local terms energy: -77.414894
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -231.791806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.791806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.791806 (E_RNA)
where:
Base-Base interactions energy: -151.283
where: short stacking energy: -67.018
Base-Backbone interact. energy: -0.023
local terms energy: -80.486244
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -176.112062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.112062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.112062 (E_RNA)
where:
Base-Base interactions energy: -113.611
where: short stacking energy: -59.010
Base-Backbone interact. energy: -0.168
local terms energy: -62.332937
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -11.245
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: 29
Temperature: 1.100000
Total energy: -166.960628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.960628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.960628 (E_RNA)
where:
Base-Base interactions energy: -104.369
where: short stacking energy: -47.915
Base-Backbone interact. energy: -0.331
local terms energy: -62.260734
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -12.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -197.189430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.189430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.189430 (E_RNA)
where:
Base-Base interactions energy: -131.352
where: short stacking energy: -60.601
Base-Backbone interact. energy: 0.045
local terms energy: -65.882276
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -15.236
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: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -138.290937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.290937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.290937 (E_RNA)
where:
Base-Base interactions energy: -82.610
where: short stacking energy: -40.022
Base-Backbone interact. energy: -0.026
local terms energy: -55.654791
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -98.739173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.739173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.739173 (E_RNA)
where:
Base-Base interactions energy: -43.790
where: short stacking energy: -36.197
Base-Backbone interact. energy: -0.031
local terms energy: -54.918630
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -87.869803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.869803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.869803 (E_RNA)
where:
Base-Base interactions energy: -36.038
where: short stacking energy: -27.397
Base-Backbone interact. energy: -0.162
local terms energy: -51.669688
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -5.445
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -5.512
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: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -86.114758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.114758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.114758 (E_RNA)
where:
Base-Base interactions energy: -41.550
where: short stacking energy: -30.083
Base-Backbone interact. energy: -0.139
local terms energy: -44.425234
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -8.099
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -9.640
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: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -239.825200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.825200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.825200 (E_RNA)
where:
Base-Base interactions energy: -160.919
where: short stacking energy: -67.602
Base-Backbone interact. energy: -0.467
local terms energy: -78.439271
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -14.730
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: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -216.810150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.810150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.810150 (E_RNA)
where:
Base-Base interactions energy: -137.302
where: short stacking energy: -65.893
Base-Backbone interact. energy: 0.029
local terms energy: -79.536811
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -19.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -240.302142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.302142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.302142 (E_RNA)
where:
Base-Base interactions energy: -164.643
where: short stacking energy: -73.207
Base-Backbone interact. energy: -0.127
local terms energy: -75.531707
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -172.774432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.774432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.774432 (E_RNA)
where:
Base-Base interactions energy: -101.257
where: short stacking energy: -54.795
Base-Backbone interact. energy: -0.022
local terms energy: -71.495882
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -13.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -177.280609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.280609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.280609 (E_RNA)
where:
Base-Base interactions energy: -109.159
where: short stacking energy: -59.571
Base-Backbone interact. energy: -0.146
local terms energy: -67.975616
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -187.079018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.079018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.079018 (E_RNA)
where:
Base-Base interactions energy: -123.167
where: short stacking energy: -63.301
Base-Backbone interact. energy: -0.079
local terms energy: -63.832758
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -130.698368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.698368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.698368 (E_RNA)
where:
Base-Base interactions energy: -71.798
where: short stacking energy: -44.313
Base-Backbone interact. energy: -0.492
local terms energy: -58.409173
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -163.549902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.549902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.549902 (E_RNA)
where:
Base-Base interactions energy: -101.724
where: short stacking energy: -52.219
Base-Backbone interact. energy: -0.353
local terms energy: -61.473710
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -5.212
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: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -97.341844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.341844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.341844 (E_RNA)
where:
Base-Base interactions energy: -44.791
where: short stacking energy: -30.998
Base-Backbone interact. energy: -0.091
local terms energy: -52.460362
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -8.652
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -9.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -85.088480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.088480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.088480 (E_RNA)
where:
Base-Base interactions energy: -44.739
where: short stacking energy: -26.750
Base-Backbone interact. energy: -0.181
local terms energy: -40.168590
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -2.921
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: 31
Temperature: 0.900000
Total energy: -234.405077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.405077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.405077 (E_RNA)
where:
Base-Base interactions energy: -153.764
where: short stacking energy: -69.310
Base-Backbone interact. energy: -0.136
local terms energy: -80.504710
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -18.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -220.857602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.857602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.857602 (E_RNA)
where:
Base-Base interactions energy: -153.863
where: short stacking energy: -61.127
Base-Backbone interact. energy: -0.124
local terms energy: -66.870705
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -205.627776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.627776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.627776 (E_RNA)
where:
Base-Base interactions energy: -140.385
where: short stacking energy: -67.946
Base-Backbone interact. energy: -0.412
local terms energy: -64.830935
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -181.932063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.932063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.932063 (E_RNA)
where:
Base-Base interactions energy: -119.632
where: short stacking energy: -66.656
Base-Backbone interact. energy: -1.535
local terms energy: -60.764889
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -9.886
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -17.353
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: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -177.172184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.172184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.172184 (E_RNA)
where:
Base-Base interactions energy: -112.344
where: short stacking energy: -50.802
Base-Backbone interact. energy: -0.698
local terms energy: -64.130216
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -10.585
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: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -160.347386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.347386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.347386 (E_RNA)
where:
Base-Base interactions energy: -95.359
where: short stacking energy: -49.765
Base-Backbone interact. energy: -0.096
local terms energy: -64.891848
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -185.517160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.517160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.517160 (E_RNA)
where:
Base-Base interactions energy: -116.697
where: short stacking energy: -58.771
Base-Backbone interact. energy: -0.087
local terms energy: -68.733245
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -161.687156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.687156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.687156 (E_RNA)
where:
Base-Base interactions energy: -98.779
where: short stacking energy: -47.815
Base-Backbone interact. energy: -0.119
local terms energy: -62.789312
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -10.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -89.758829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.758829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.758829 (E_RNA)
where:
Base-Base interactions energy: -44.535
where: short stacking energy: -26.234
Base-Backbone interact. energy: -0.012
local terms energy: -45.212356
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: 0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -87.941743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.941743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.941743 (E_RNA)
where:
Base-Base interactions energy: -43.502
where: short stacking energy: -18.284
Base-Backbone interact. energy: -0.023
local terms energy: -44.417349
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -4.743
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: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -244.417412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.417412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.417412 (E_RNA)
where:
Base-Base interactions energy: -162.635
where: short stacking energy: -68.923
Base-Backbone interact. energy: -0.141
local terms energy: -81.641933
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -19.020
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: 10
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -225.476218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.476218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.476218 (E_RNA)
where:
Base-Base interactions energy: -147.624
where: short stacking energy: -57.873
Base-Backbone interact. energy: -0.141
local terms energy: -77.711087
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -13.293
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: 32
Temperature: 1.000000
Total energy: -187.884866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.884866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.884866 (E_RNA)
where:
Base-Base interactions energy: -112.293
where: short stacking energy: -56.082
Base-Backbone interact. energy: -1.012
local terms energy: -74.580182
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -13.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -183.671348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.671348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.671348 (E_RNA)
where:
Base-Base interactions energy: -116.287
where: short stacking energy: -62.894
Base-Backbone interact. energy: -0.139
local terms energy: -67.245124
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -162.232144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.232144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.232144 (E_RNA)
where:
Base-Base interactions energy: -104.794
where: short stacking energy: -47.264
Base-Backbone interact. energy: -0.176
local terms energy: -57.261492
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -3.145
tors. eta vs tors. theta energy: -13.185
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: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -168.413137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.413137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.413137 (E_RNA)
where:
Base-Base interactions energy: -106.560
where: short stacking energy: -59.489
Base-Backbone interact. energy: -0.005
local terms energy: -61.848299
where:
bonds (distance) C4'-P energy: -8.127
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -16.236
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: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -162.131788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.131788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.131788 (E_RNA)
where:
Base-Base interactions energy: -99.629
where: short stacking energy: -50.335
Base-Backbone interact. energy: -0.496
local terms energy: -62.006772
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -111.910541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.910541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.910541 (E_RNA)
where:
Base-Base interactions energy: -62.910
where: short stacking energy: -28.280
Base-Backbone interact. energy: -0.259
local terms energy: -48.741110
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -6.349
flat angles P-C4'-P energy: -9.191
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: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -89.275392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.275392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.275392 (E_RNA)
where:
Base-Base interactions energy: -37.039
where: short stacking energy: -27.276
Base-Backbone interact. energy: -0.879
local terms energy: -51.358308
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: 1.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -77.794381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.794381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.794381 (E_RNA)
where:
Base-Base interactions energy: -30.267
where: short stacking energy: -21.886
Base-Backbone interact. energy: 0.943
local terms energy: -48.470397
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -239.969744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.969744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.969744 (E_RNA)
where:
Base-Base interactions energy: -160.326
where: short stacking energy: -68.944
Base-Backbone interact. energy: -0.893
local terms energy: -78.751089
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -224.077005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.077005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.077005 (E_RNA)
where:
Base-Base interactions energy: -150.686
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.393
local terms energy: -72.997938
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -205.339616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.339616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.339616 (E_RNA)
where:
Base-Base interactions energy: -133.524
where: short stacking energy: -66.972
Base-Backbone interact. energy: -0.036
local terms energy: -71.780430
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -8.431
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: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -194.484691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.484691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.484691 (E_RNA)
where:
Base-Base interactions energy: -124.909
where: short stacking energy: -55.298
Base-Backbone interact. energy: -0.166
local terms energy: -69.409372
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -171.530605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.530605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.530605 (E_RNA)
where:
Base-Base interactions energy: -101.286
where: short stacking energy: -56.112
Base-Backbone interact. energy: -0.809
local terms energy: -69.435691
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -12.221
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: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -174.086681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.086681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.086681 (E_RNA)
where:
Base-Base interactions energy: -107.177
where: short stacking energy: -59.628
Base-Backbone interact. energy: -0.164
local terms energy: -66.745276
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -15.255
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: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -160.372623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.372623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.372623 (E_RNA)
where:
Base-Base interactions energy: -108.895
where: short stacking energy: -36.447
Base-Backbone interact. energy: -0.371
local terms energy: -51.107184
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -5.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -100.136700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.136700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.136700 (E_RNA)
where:
Base-Base interactions energy: -58.850
where: short stacking energy: -33.546
Base-Backbone interact. energy: -1.288
local terms energy: -39.998298
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -4.332
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -86.497508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.497508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.497508 (E_RNA)
where:
Base-Base interactions energy: -36.442
where: short stacking energy: -33.683
Base-Backbone interact. energy: -0.305
local terms energy: -49.751097
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: 3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -85.943491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.943491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.943491 (E_RNA)
where:
Base-Base interactions energy: -26.623
where: short stacking energy: -25.504
Base-Backbone interact. energy: 0.219
local terms energy: -59.539911
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -235.690783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.690783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.690783 (E_RNA)
where:
Base-Base interactions energy: -159.479
where: short stacking energy: -57.193
Base-Backbone interact. energy: -0.162
local terms energy: -76.049732
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -14.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -213.460082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.460082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.460082 (E_RNA)
where:
Base-Base interactions energy: -146.286
where: short stacking energy: -58.428
Base-Backbone interact. energy: -0.185
local terms energy: -66.989761
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -204.843763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.843763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.843763 (E_RNA)
where:
Base-Base interactions energy: -127.651
where: short stacking energy: -73.297
Base-Backbone interact. energy: -0.121
local terms energy: -77.071284
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -198.676949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.676949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.676949 (E_RNA)
where:
Base-Base interactions energy: -136.700
where: short stacking energy: -55.418
Base-Backbone interact. energy: -0.021
local terms energy: -61.956369
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -7.967
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: 34
Temperature: 1.100000
Total energy: -199.924820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.924820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.924820 (E_RNA)
where:
Base-Base interactions energy: -127.688
where: short stacking energy: -62.755
Base-Backbone interact. energy: -0.163
local terms energy: -72.073579
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -165.352175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.352175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.352175 (E_RNA)
where:
Base-Base interactions energy: -107.219
where: short stacking energy: -49.458
Base-Backbone interact. energy: -0.007
local terms energy: -58.126162
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -11.587
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: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -98.791207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.791207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.791207 (E_RNA)
where:
Base-Base interactions energy: -47.411
where: short stacking energy: -35.556
Base-Backbone interact. energy: -1.284
local terms energy: -50.095730
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -3.074
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: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -145.048643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.048643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.048643 (E_RNA)
where:
Base-Base interactions energy: -81.364
where: short stacking energy: -31.377
Base-Backbone interact. energy: -1.489
local terms energy: -62.195670
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -104.428273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.428273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.428273 (E_RNA)
where:
Base-Base interactions energy: -42.910
where: short stacking energy: -42.910
Base-Backbone interact. energy: -0.071
local terms energy: -61.447180
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -9.364
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: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -92.365585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.365585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.365585 (E_RNA)
where:
Base-Base interactions energy: -46.146
where: short stacking energy: -34.805
Base-Backbone interact. energy: -1.084
local terms energy: -45.135900
where:
bonds (distance) C4'-P energy: -7.497
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -240.668994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.668994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.668994 (E_RNA)
where:
Base-Base interactions energy: -158.337
where: short stacking energy: -69.871
Base-Backbone interact. energy: -0.180
local terms energy: -82.151564
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -214.203192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.203192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.203192 (E_RNA)
where:
Base-Base interactions energy: -140.193
where: short stacking energy: -66.728
Base-Backbone interact. energy: -0.004
local terms energy: -74.006544
where:
bonds (distance) C4'-P energy: -10.482
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -19.399
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: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -200.730194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.730194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.730194 (E_RNA)
where:
Base-Base interactions energy: -124.570
where: short stacking energy: -53.496
Base-Backbone interact. energy: -0.317
local terms energy: -75.843394
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -205.014257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.014257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.014257 (E_RNA)
where:
Base-Base interactions energy: -140.491
where: short stacking energy: -66.240
Base-Backbone interact. energy: -0.506
local terms energy: -64.016584
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -179.180144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.180144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.180144 (E_RNA)
where:
Base-Base interactions energy: -108.858
where: short stacking energy: -56.468
Base-Backbone interact. energy: -0.084
local terms energy: -70.237856
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -10.057
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: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -162.764272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.764272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.764272 (E_RNA)
where:
Base-Base interactions energy: -101.446
where: short stacking energy: -50.495
Base-Backbone interact. energy: -0.107
local terms energy: -61.211136
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -11.136
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: 35
Temperature: 1.200000
Total energy: -107.593548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.593548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.593548 (E_RNA)
where:
Base-Base interactions energy: -50.659
where: short stacking energy: -50.659
Base-Backbone interact. energy: -0.266
local terms energy: -56.668804
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -9.959
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -152.149354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.149354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.149354 (E_RNA)
where:
Base-Base interactions energy: -103.678
where: short stacking energy: -40.130
Base-Backbone interact. energy: -0.445
local terms energy: -48.026501
where:
bonds (distance) C4'-P energy: -7.258
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -82.699387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.699387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.699387 (E_RNA)
where:
Base-Base interactions energy: -23.221
where: short stacking energy: -23.221
Base-Backbone interact. energy: -0.121
local terms energy: -59.357011
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -77.339274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.339274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.339274 (E_RNA)
where:
Base-Base interactions energy: -29.930
where: short stacking energy: -26.031
Base-Backbone interact. energy: -0.648
local terms energy: -46.761453
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: 0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -221.831283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.831283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.831283 (E_RNA)
where:
Base-Base interactions energy: -146.107
where: short stacking energy: -61.957
Base-Backbone interact. energy: -0.416
local terms energy: -75.308196
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -229.396220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.396220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.396220 (E_RNA)
where:
Base-Base interactions energy: -154.945
where: short stacking energy: -60.052
Base-Backbone interact. energy: -0.437
local terms energy: -74.014073
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -16.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -202.722045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.722045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.722045 (E_RNA)
where:
Base-Base interactions energy: -133.186
where: short stacking energy: -67.585
Base-Backbone interact. energy: -0.141
local terms energy: -69.395723
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -200.714984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.714984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.714984 (E_RNA)
where:
Base-Base interactions energy: -135.444
where: short stacking energy: -57.327
Base-Backbone interact. energy: -0.550
local terms energy: -64.720311
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -9.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -176.553726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.553726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.553726 (E_RNA)
where:
Base-Base interactions energy: -113.552
where: short stacking energy: -59.018
Base-Backbone interact. energy: -0.484
local terms energy: -62.518115
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -166.869969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.869969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.869969 (E_RNA)
where:
Base-Base interactions energy: -99.543
where: short stacking energy: -53.918
Base-Backbone interact. energy: -0.058
local terms energy: -67.269328
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -16.398
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: 36
Temperature: 1.200000
Total energy: -164.429884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.429884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.429884 (E_RNA)
where:
Base-Base interactions energy: -97.937
where: short stacking energy: -55.285
Base-Backbone interact. energy: -0.544
local terms energy: -65.948433
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -91.908092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.908092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.908092 (E_RNA)
where:
Base-Base interactions energy: -49.297
where: short stacking energy: -29.071
Base-Backbone interact. energy: 0.137
local terms energy: -42.748033
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: 3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -85.177716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.177716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.177716 (E_RNA)
where:
Base-Base interactions energy: -32.043
where: short stacking energy: -32.043
Base-Backbone interact. energy: -0.339
local terms energy: -52.796249
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -69.660637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.660637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.660637 (E_RNA)
where:
Base-Base interactions energy: -22.086
where: short stacking energy: -19.176
Base-Backbone interact. energy: -0.224
local terms energy: -47.350368
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: 4.195
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: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -215.345764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.345764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.345764 (E_RNA)
where:
Base-Base interactions energy: -140.801
where: short stacking energy: -68.875
Base-Backbone interact. energy: -0.007
local terms energy: -74.537993
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -11.284
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: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -230.926758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.926758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.926758 (E_RNA)
where:
Base-Base interactions energy: -158.602
where: short stacking energy: -67.124
Base-Backbone interact. energy: -0.405
local terms energy: -71.919726
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -10.110
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: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -213.464342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.464342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.464342 (E_RNA)
where:
Base-Base interactions energy: -140.448
where: short stacking energy: -62.916
Base-Backbone interact. energy: -0.562
local terms energy: -72.454283
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -8.568
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: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -192.581220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.581220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.581220 (E_RNA)
where:
Base-Base interactions energy: -131.999
where: short stacking energy: -49.312
Base-Backbone interact. energy: -0.143
local terms energy: -60.438621
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -169.750486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.750486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.750486 (E_RNA)
where:
Base-Base interactions energy: -108.137
where: short stacking energy: -56.890
Base-Backbone interact. energy: 2.937
local terms energy: -64.550445
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -161.747731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.747731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.747731 (E_RNA)
where:
Base-Base interactions energy: -94.540
where: short stacking energy: -42.999
Base-Backbone interact. energy: -0.407
local terms energy: -66.800431
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -12.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -167.719017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.719017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.719017 (E_RNA)
where:
Base-Base interactions energy: -105.054
where: short stacking energy: -53.627
Base-Backbone interact. energy: -0.175
local terms energy: -62.490341
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -13.462
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: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -80.836959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.836959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.836959 (E_RNA)
where:
Base-Base interactions energy: -29.356
where: short stacking energy: -29.356
Base-Backbone interact. energy: 0.259
local terms energy: -51.739909
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -5.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -103.454633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.454633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.454633 (E_RNA)
where:
Base-Base interactions energy: -59.389
where: short stacking energy: -25.203
Base-Backbone interact. energy: -0.113
local terms energy: -43.952634
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: 4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -82.161121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.161121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.161121 (E_RNA)
where:
Base-Base interactions energy: -35.492
where: short stacking energy: -24.555
Base-Backbone interact. energy: 0.133
local terms energy: -46.802943
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -231.660540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.660540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.660540 (E_RNA)
where:
Base-Base interactions energy: -159.680
where: short stacking energy: -68.577
Base-Backbone interact. energy: -0.088
local terms energy: -71.892412
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -12.912
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: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -218.922608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.922608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.922608 (E_RNA)
where:
Base-Base interactions energy: -142.227
where: short stacking energy: -70.737
Base-Backbone interact. energy: -0.851
local terms energy: -75.844336
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -10.071
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: 3, replica: 10
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -198.656806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.656806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.656806 (E_RNA)
where:
Base-Base interactions energy: -128.752
where: short stacking energy: -58.910
Base-Backbone interact. energy: -0.213
local terms energy: -69.691750
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -204.937150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.937150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.937150 (E_RNA)
where:
Base-Base interactions energy: -131.689
where: short stacking energy: -57.153
Base-Backbone interact. energy: -0.553
local terms energy: -72.695134
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -172.454767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.454767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.454767 (E_RNA)
where:
Base-Base interactions energy: -109.532
where: short stacking energy: -47.251
Base-Backbone interact. energy: -0.815
local terms energy: -62.108501
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -8.642
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: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -167.846705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.846705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.846705 (E_RNA)
where:
Base-Base interactions energy: -101.588
where: short stacking energy: -51.516
Base-Backbone interact. energy: -0.088
local terms energy: -66.170360
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -16.700
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: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -168.210545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.210545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.210545 (E_RNA)
where:
Base-Base interactions energy: -101.705
where: short stacking energy: -51.617
Base-Backbone interact. energy: -0.007
local terms energy: -66.498324
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -13.529
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: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -87.351654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.351654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.351654 (E_RNA)
where:
Base-Base interactions energy: -31.714
where: short stacking energy: -28.549
Base-Backbone interact. energy: -0.286
local terms energy: -55.351606
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -115.052054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.052054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.052054 (E_RNA)
where:
Base-Base interactions energy: -73.248
where: short stacking energy: -31.412
Base-Backbone interact. energy: -0.141
local terms energy: -41.662612
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -7.029
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: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -86.095624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.095624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.095624 (E_RNA)
where:
Base-Base interactions energy: -37.180
where: short stacking energy: -30.328
Base-Backbone interact. energy: -0.120
local terms energy: -48.796392
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -3.669
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -235.790780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.790780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.790780 (E_RNA)
where:
Base-Base interactions energy: -162.858
where: short stacking energy: -66.566
Base-Backbone interact. energy: -0.036
local terms energy: -72.896703
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -19.327
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: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -212.191150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.191150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.191150 (E_RNA)
where:
Base-Base interactions energy: -142.095
where: short stacking energy: -57.316
Base-Backbone interact. energy: -0.118
local terms energy: -69.977468
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -205.421454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.421454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.421454 (E_RNA)
where:
Base-Base interactions energy: -139.370
where: short stacking energy: -68.883
Base-Backbone interact. energy: 0.637
local terms energy: -66.688525
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -220.682320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.682320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.682320 (E_RNA)
where:
Base-Base interactions energy: -137.342
where: short stacking energy: -68.406
Base-Backbone interact. energy: -1.491
local terms energy: -81.849081
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -20.474
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: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -193.271251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.271251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.271251 (E_RNA)
where:
Base-Base interactions energy: -125.999
where: short stacking energy: -52.419
Base-Backbone interact. energy: -0.174
local terms energy: -67.098131
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -149.560908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.560908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.560908 (E_RNA)
where:
Base-Base interactions energy: -96.006
where: short stacking energy: -44.104
Base-Backbone interact. energy: -0.231
local terms energy: -53.324220
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -136.779765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.779765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.779765 (E_RNA)
where:
Base-Base interactions energy: -74.895
where: short stacking energy: -43.715
Base-Backbone interact. energy: -0.200
local terms energy: -61.685114
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: -10.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -144.289533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.289533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.289533 (E_RNA)
where:
Base-Base interactions energy: -82.285
where: short stacking energy: -41.176
Base-Backbone interact. energy: -0.828
local terms energy: -61.176461
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -81.212714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.212714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.212714 (E_RNA)
where:
Base-Base interactions energy: -30.419
where: short stacking energy: -27.400
Base-Backbone interact. energy: 0.315
local terms energy: -51.108880
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -5.341
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: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -77.203446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.203446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.203446 (E_RNA)
where:
Base-Base interactions energy: -31.445
where: short stacking energy: -31.445
Base-Backbone interact. energy: -0.319
local terms energy: -45.439023
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -238.275653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.275653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.275653 (E_RNA)
where:
Base-Base interactions energy: -158.830
where: short stacking energy: -70.268
Base-Backbone interact. energy: -0.038
local terms energy: -79.407782
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -13.397
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: 2, replica: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -217.429442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.429442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.429442 (E_RNA)
where:
Base-Base interactions energy: -147.812
where: short stacking energy: -57.486
Base-Backbone interact. energy: -0.322
local terms energy: -69.295125
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -210.592737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.592737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.592737 (E_RNA)
where:
Base-Base interactions energy: -134.871
where: short stacking energy: -61.968
Base-Backbone interact. energy: -1.648
local terms energy: -74.074207
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -202.677375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.677375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.677375 (E_RNA)
where:
Base-Base interactions energy: -129.396
where: short stacking energy: -71.928
Base-Backbone interact. energy: -0.639
local terms energy: -72.642408
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -202.246267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.246267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.246267 (E_RNA)
where:
Base-Base interactions energy: -131.348
where: short stacking energy: -54.679
Base-Backbone interact. energy: -1.011
local terms energy: -69.887350
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -153.136594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.136594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.136594 (E_RNA)
where:
Base-Base interactions energy: -86.436
where: short stacking energy: -56.939
Base-Backbone interact. energy: -0.071
local terms energy: -66.629892
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -154.203567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.203567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.203567 (E_RNA)
where:
Base-Base interactions energy: -97.133
where: short stacking energy: -35.644
Base-Backbone interact. energy: -0.394
local terms energy: -56.676193
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -11.622
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: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -121.963922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.963922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.963922 (E_RNA)
where:
Base-Base interactions energy: -59.606
where: short stacking energy: -32.883
Base-Backbone interact. energy: -0.535
local terms energy: -61.822878
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -9.006
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: 40
Temperature: 1.300000
Total energy: -84.245252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.245252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.245252 (E_RNA)
where:
Base-Base interactions energy: -30.244
where: short stacking energy: -30.244
Base-Backbone interact. energy: -0.633
local terms energy: -53.367706
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -88.596847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.596847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.596847 (E_RNA)
where:
Base-Base interactions energy: -38.976
where: short stacking energy: -38.697
Base-Backbone interact. energy: -0.073
local terms energy: -49.548606
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -4.287
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -234.850612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.850612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.850612 (E_RNA)
where:
Base-Base interactions energy: -154.238
where: short stacking energy: -60.195
Base-Backbone interact. energy: -0.754
local terms energy: -79.858129
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -208.251576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.251576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.251576 (E_RNA)
where:
Base-Base interactions energy: -129.252
where: short stacking energy: -66.948
Base-Backbone interact. energy: -1.289
local terms energy: -77.711021
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -204.973557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.973557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.973557 (E_RNA)
where:
Base-Base interactions energy: -143.828
where: short stacking energy: -55.739
Base-Backbone interact. energy: -0.139
local terms energy: -61.006653
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -211.152682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.152682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.152682 (E_RNA)
where:
Base-Base interactions energy: -143.953
where: short stacking energy: -59.527
Base-Backbone interact. energy: -0.487
local terms energy: -66.712383
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -10.787
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -15.143
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: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -192.915765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.915765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.915765 (E_RNA)
where:
Base-Base interactions energy: -129.743
where: short stacking energy: -55.504
Base-Backbone interact. energy: -1.060
local terms energy: -62.112931
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -177.413446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.413446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.413446 (E_RNA)
where:
Base-Base interactions energy: -119.221
where: short stacking energy: -41.512
Base-Backbone interact. energy: -0.861
local terms energy: -57.331382
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -159.942232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.942232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.942232 (E_RNA)
where:
Base-Base interactions energy: -97.170
where: short stacking energy: -47.625
Base-Backbone interact. energy: -0.431
local terms energy: -62.340701
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -120.120861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.120861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.120861 (E_RNA)
where:
Base-Base interactions energy: -53.101
where: short stacking energy: -49.887
Base-Backbone interact. energy: -0.431
local terms energy: -66.589167
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -9.658
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: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -89.588356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.588356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.588356 (E_RNA)
where:
Base-Base interactions energy: -32.455
where: short stacking energy: -30.904
Base-Backbone interact. energy: -0.012
local terms energy: -57.121097
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -77.375229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.375229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.375229 (E_RNA)
where:
Base-Base interactions energy: -34.047
where: short stacking energy: -34.047
Base-Backbone interact. energy: -0.167
local terms energy: -43.160990
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -7.912
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -239.954663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.954663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.954663 (E_RNA)
where:
Base-Base interactions energy: -160.067
where: short stacking energy: -70.346
Base-Backbone interact. energy: -0.443
local terms energy: -79.444229
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -18.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -215.686963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.686963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.686963 (E_RNA)
where:
Base-Base interactions energy: -135.028
where: short stacking energy: -59.342
Base-Backbone interact. energy: -1.959
local terms energy: -78.699523
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -216.941296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.941296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.941296 (E_RNA)
where:
Base-Base interactions energy: -129.952
where: short stacking energy: -72.978
Base-Backbone interact. energy: -0.618
local terms energy: -86.371147
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -22.680
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: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -195.051151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.051151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.051151 (E_RNA)
where:
Base-Base interactions energy: -135.577
where: short stacking energy: -48.041
Base-Backbone interact. energy: -0.670
local terms energy: -58.803657
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -12.196
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: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -209.892786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.892786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.892786 (E_RNA)
where:
Base-Base interactions energy: -139.989
where: short stacking energy: -45.288
Base-Backbone interact. energy: -0.138
local terms energy: -69.766298
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -178.904113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.904113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.904113 (E_RNA)
where:
Base-Base interactions energy: -111.365
where: short stacking energy: -53.165
Base-Backbone interact. energy: -0.224
local terms energy: -67.314827
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -9.519
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: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -104.144439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.144439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.144439 (E_RNA)
where:
Base-Base interactions energy: -43.248
where: short stacking energy: -38.422
Base-Backbone interact. energy: -0.104
local terms energy: -60.792637
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -90.911481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.911481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.911481 (E_RNA)
where:
Base-Base interactions energy: -39.522
where: short stacking energy: -35.887
Base-Backbone interact. energy: -0.423
local terms energy: -50.967399
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -86.364365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.364365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.364365 (E_RNA)
where:
Base-Base interactions energy: -34.528
where: short stacking energy: -34.528
Base-Backbone interact. energy: -0.058
local terms energy: -51.778593
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -86.092189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.092189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.092189 (E_RNA)
where:
Base-Base interactions energy: -27.864
where: short stacking energy: -25.567
Base-Backbone interact. energy: -0.098
local terms energy: -58.130799
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -4.806
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: 1, replica: 7
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -238.574424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.574424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.574424 (E_RNA)
where:
Base-Base interactions energy: -165.894
where: short stacking energy: -67.185
Base-Backbone interact. energy: -0.198
local terms energy: -72.482523
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -234.468968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.468968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.468968 (E_RNA)
where:
Base-Base interactions energy: -153.191
where: short stacking energy: -69.557
Base-Backbone interact. energy: -2.187
local terms energy: -79.091310
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -20.747
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: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -206.704206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.704206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.704206 (E_RNA)
where:
Base-Base interactions energy: -132.841
where: short stacking energy: -68.785
Base-Backbone interact. energy: 0.233
local terms energy: -74.095637
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -20.093
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: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -210.062516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.062516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.062516 (E_RNA)
where:
Base-Base interactions energy: -138.644
where: short stacking energy: -56.116
Base-Backbone interact. energy: -0.229
local terms energy: -71.189372
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -16.643
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: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -193.949612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.949612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.949612 (E_RNA)
where:
Base-Base interactions energy: -123.690
where: short stacking energy: -51.354
Base-Backbone interact. energy: -0.156
local terms energy: -70.103973
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -10.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -192.173102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.173102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.173102 (E_RNA)
where:
Base-Base interactions energy: -127.784
where: short stacking energy: -51.750
Base-Backbone interact. energy: -1.490
local terms energy: -62.898788
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -95.040163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.040163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.040163 (E_RNA)
where:
Base-Base interactions energy: -39.194
where: short stacking energy: -39.194
Base-Backbone interact. energy: -0.163
local terms energy: -55.683586
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -86.352414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.352414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.352414 (E_RNA)
where:
Base-Base interactions energy: -27.266
where: short stacking energy: -27.257
Base-Backbone interact. energy: -0.256
local terms energy: -58.830542
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -7.810
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: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -97.018935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.018935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.018935 (E_RNA)
where:
Base-Base interactions energy: -52.387
where: short stacking energy: -43.401
Base-Backbone interact. energy: -0.167
local terms energy: -44.464262
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -88.605005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.605005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.605005 (E_RNA)
where:
Base-Base interactions energy: -37.111
where: short stacking energy: -28.426
Base-Backbone interact. energy: 0.727
local terms energy: -52.221188
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -240.932509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.932509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.932509 (E_RNA)
where:
Base-Base interactions energy: -156.119
where: short stacking energy: -76.820
Base-Backbone interact. energy: -1.310
local terms energy: -83.503835
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -24.100
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: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -227.711777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.711777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.711777 (E_RNA)
where:
Base-Base interactions energy: -150.418
where: short stacking energy: -58.837
Base-Backbone interact. energy: -0.161
local terms energy: -77.132793
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -221.873831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.873831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.873831 (E_RNA)
where:
Base-Base interactions energy: -150.706
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.078
local terms energy: -71.090183
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -11.197
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: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -191.543527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.543527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.543527 (E_RNA)
where:
Base-Base interactions energy: -122.045
where: short stacking energy: -53.014
Base-Backbone interact. energy: -0.076
local terms energy: -69.422643
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -7.841
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: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -204.242150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.242150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.242150 (E_RNA)
where:
Base-Base interactions energy: -129.761
where: short stacking energy: -53.031
Base-Backbone interact. energy: -0.181
local terms energy: -74.299902
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -185.915861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.915861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.915861 (E_RNA)
where:
Base-Base interactions energy: -111.976
where: short stacking energy: -57.855
Base-Backbone interact. energy: -0.198
local terms energy: -73.741675
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -98.775148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.775148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.775148 (E_RNA)
where:
Base-Base interactions energy: -37.192
where: short stacking energy: -31.245
Base-Backbone interact. energy: -0.522
local terms energy: -61.062025
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -85.369723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.369723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.369723 (E_RNA)
where:
Base-Base interactions energy: -28.581
where: short stacking energy: -28.581
Base-Backbone interact. energy: 0.178
local terms energy: -56.966510
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -89.598390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.598390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.598390 (E_RNA)
where:
Base-Base interactions energy: -35.807
where: short stacking energy: -35.807
Base-Backbone interact. energy: -0.194
local terms energy: -53.597912
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -81.578358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.578358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.578358 (E_RNA)
where:
Base-Base interactions energy: -33.571
where: short stacking energy: -23.664
Base-Backbone interact. energy: -0.871
local terms energy: -47.136284
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -8.038
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: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -240.984516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.984516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.984516 (E_RNA)
where:
Base-Base interactions energy: -163.546
where: short stacking energy: -73.340
Base-Backbone interact. energy: -1.041
local terms energy: -76.397657
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -24.192
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: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -226.839804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.839804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.839804 (E_RNA)
where:
Base-Base interactions energy: -153.738
where: short stacking energy: -62.517
Base-Backbone interact. energy: -0.720
local terms energy: -72.382015
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -15.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -192.261755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.261755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.261755 (E_RNA)
where:
Base-Base interactions energy: -133.505
where: short stacking energy: -46.353
Base-Backbone interact. energy: -0.308
local terms energy: -58.449032
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -9.305
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: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -207.013137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.013137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.013137 (E_RNA)
where:
Base-Base interactions energy: -133.781
where: short stacking energy: -74.897
Base-Backbone interact. energy: -0.003
local terms energy: -73.229588
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -171.305151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.305151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.305151 (E_RNA)
where:
Base-Base interactions energy: -103.160
where: short stacking energy: -56.247
Base-Backbone interact. energy: 1.252
local terms energy: -69.398104
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -179.271892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.271892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.271892 (E_RNA)
where:
Base-Base interactions energy: -109.678
where: short stacking energy: -49.190
Base-Backbone interact. energy: 0.051
local terms energy: -69.645145
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -11.309
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: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -103.103075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.103075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.103075 (E_RNA)
where:
Base-Base interactions energy: -44.213
where: short stacking energy: -44.213
Base-Backbone interact. energy: -0.032
local terms energy: -58.858349
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -91.591108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.591108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.591108 (E_RNA)
where:
Base-Base interactions energy: -38.788
where: short stacking energy: -35.197
Base-Backbone interact. energy: -0.087
local terms energy: -52.716705
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -10.990
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: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -85.495419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.495419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.495419 (E_RNA)
where:
Base-Base interactions energy: -32.478
where: short stacking energy: -31.979
Base-Backbone interact. energy: -0.049
local terms energy: -52.968497
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -5.566
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: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -81.335530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.335530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.335530 (E_RNA)
where:
Base-Base interactions energy: -26.694
where: short stacking energy: -26.694
Base-Backbone interact. energy: -0.163
local terms energy: -54.479262
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -8.612
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -232.143304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.143304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.143304 (E_RNA)
where:
Base-Base interactions energy: -159.633
where: short stacking energy: -67.989
Base-Backbone interact. energy: -0.202
local terms energy: -72.308687
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -11.300
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: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -240.157387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.157387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.157387 (E_RNA)
where:
Base-Base interactions energy: -156.764
where: short stacking energy: -75.334
Base-Backbone interact. energy: -0.087
local terms energy: -83.305959
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -23.673
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: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -211.786335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.786335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.786335 (E_RNA)
where:
Base-Base interactions energy: -135.972
where: short stacking energy: -68.876
Base-Backbone interact. energy: -1.147
local terms energy: -74.667576
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -195.083226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.083226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.083226 (E_RNA)
where:
Base-Base interactions energy: -124.229
where: short stacking energy: -54.348
Base-Backbone interact. energy: -0.201
local terms energy: -70.653767
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -197.593455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.593455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.593455 (E_RNA)
where:
Base-Base interactions energy: -138.476
where: short stacking energy: -59.139
Base-Backbone interact. energy: -0.885
local terms energy: -58.233075
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -9.237
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -12.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -181.110876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.110876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.110876 (E_RNA)
where:
Base-Base interactions energy: -113.072
where: short stacking energy: -58.805
Base-Backbone interact. energy: -0.085
local terms energy: -67.954204
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -96.777935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.777935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.777935 (E_RNA)
where:
Base-Base interactions energy: -42.925
where: short stacking energy: -42.925
Base-Backbone interact. energy: 2.342
local terms energy: -56.194946
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -98.472419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.472419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.472419 (E_RNA)
where:
Base-Base interactions energy: -44.463
where: short stacking energy: -41.252
Base-Backbone interact. energy: -0.352
local terms energy: -53.657234
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -9.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -91.175008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.175008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.175008 (E_RNA)
where:
Base-Base interactions energy: -42.648
where: short stacking energy: -31.863
Base-Backbone interact. energy: -0.140
local terms energy: -48.387032
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -76.432072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.432072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.432072 (E_RNA)
where:
Base-Base interactions energy: -40.135
where: short stacking energy: -40.135
Base-Backbone interact. energy: 1.953
local terms energy: -38.250276
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -4.336
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: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -240.108831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.108831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.108831 (E_RNA)
where:
Base-Base interactions energy: -159.789
where: short stacking energy: -62.605
Base-Backbone interact. energy: -0.097
local terms energy: -80.222651
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -227.872717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.872717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.872717 (E_RNA)
where:
Base-Base interactions energy: -152.275
where: short stacking energy: -79.278
Base-Backbone interact. energy: -0.231
local terms energy: -75.366577
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -225.922828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.922828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.922828 (E_RNA)
where:
Base-Base interactions energy: -148.438
where: short stacking energy: -70.621
Base-Backbone interact. energy: -1.670
local terms energy: -75.814509
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -205.433840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.433840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.433840 (E_RNA)
where:
Base-Base interactions energy: -129.801
where: short stacking energy: -62.340
Base-Backbone interact. energy: -0.085
local terms energy: -75.548386
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -21.287
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: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -199.047269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.047269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.047269 (E_RNA)
where:
Base-Base interactions energy: -129.906
where: short stacking energy: -49.614
Base-Backbone interact. energy: -0.735
local terms energy: -68.406451
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -164.024521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.024521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.024521 (E_RNA)
where:
Base-Base interactions energy: -96.029
where: short stacking energy: -58.102
Base-Backbone interact. energy: -0.121
local terms energy: -67.875022
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -12.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -92.735046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.735046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.735046 (E_RNA)
where:
Base-Base interactions energy: -34.161
where: short stacking energy: -33.417
Base-Backbone interact. energy: -0.069
local terms energy: -58.504655
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -9.762
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: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -87.780519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.780519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.780519 (E_RNA)
where:
Base-Base interactions energy: -34.629
where: short stacking energy: -26.040
Base-Backbone interact. energy: -0.120
local terms energy: -53.031648
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -7.865
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -12.159
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: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -83.631397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.631397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.631397 (E_RNA)
where:
Base-Base interactions energy: -37.201
where: short stacking energy: -27.907
Base-Backbone interact. energy: -0.281
local terms energy: -46.149076
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: 1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -92.849138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.849138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.849138 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -34.637
Base-Backbone interact. energy: -0.071
local terms energy: -57.734073
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -231.633442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.633442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.633442 (E_RNA)
where:
Base-Base interactions energy: -149.952
where: short stacking energy: -72.215
Base-Backbone interact. energy: -0.396
local terms energy: -81.285318
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -220.143094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.143094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.143094 (E_RNA)
where:
Base-Base interactions energy: -141.613
where: short stacking energy: -69.843
Base-Backbone interact. energy: -0.906
local terms energy: -77.623653
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -19.279
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: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -223.944420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.944420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.944420 (E_RNA)
where:
Base-Base interactions energy: -143.606
where: short stacking energy: -74.599
Base-Backbone interact. energy: -0.345
local terms energy: -79.993344
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -210.049553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.049553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.049553 (E_RNA)
where:
Base-Base interactions energy: -136.800
where: short stacking energy: -64.549
Base-Backbone interact. energy: -0.154
local terms energy: -73.095491
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -204.629043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.629043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.629043 (E_RNA)
where:
Base-Base interactions energy: -135.737
where: short stacking energy: -56.975
Base-Backbone interact. energy: 1.039
local terms energy: -69.931552
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -12.322
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: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -162.184007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.184007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.184007 (E_RNA)
where:
Base-Base interactions energy: -92.764
where: short stacking energy: -51.361
Base-Backbone interact. energy: -1.887
local terms energy: -67.532990
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -112.879711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.879711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.879711 (E_RNA)
where:
Base-Base interactions energy: -68.013
where: short stacking energy: -30.841
Base-Backbone interact. energy: 0.062
local terms energy: -44.929064
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -7.724
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: 0.164
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: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -90.074075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.074075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.074075 (E_RNA)
where:
Base-Base interactions energy: -31.166
where: short stacking energy: -21.718
Base-Backbone interact. energy: -0.142
local terms energy: -58.766157
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -91.247407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.247407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.247407 (E_RNA)
where:
Base-Base interactions energy: -38.126
where: short stacking energy: -35.767
Base-Backbone interact. energy: -0.580
local terms energy: -52.541394
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -0.643
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: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -81.430907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.430907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.430907 (E_RNA)
where:
Base-Base interactions energy: -24.436
where: short stacking energy: -19.992
Base-Backbone interact. energy: -0.096
local terms energy: -56.898949
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -227.301504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.301504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.301504 (E_RNA)
where:
Base-Base interactions energy: -153.120
where: short stacking energy: -62.818
Base-Backbone interact. energy: -0.796
local terms energy: -73.385924
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -199.948310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.948310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.948310 (E_RNA)
where:
Base-Base interactions energy: -125.775
where: short stacking energy: -69.546
Base-Backbone interact. energy: -0.296
local terms energy: -73.877991
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -19.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -212.729779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.729779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.729779 (E_RNA)
where:
Base-Base interactions energy: -136.927
where: short stacking energy: -67.147
Base-Backbone interact. energy: -0.014
local terms energy: -75.788621
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -18.962
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: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -203.102072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.102072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.102072 (E_RNA)
where:
Base-Base interactions energy: -131.129
where: short stacking energy: -60.477
Base-Backbone interact. energy: -0.121
local terms energy: -71.852960
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -13.574
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: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -184.386409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.386409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.386409 (E_RNA)
where:
Base-Base interactions energy: -124.570
where: short stacking energy: -42.759
Base-Backbone interact. energy: -0.106
local terms energy: -59.710482
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -7.705
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: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -180.521726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.521726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.521726 (E_RNA)
where:
Base-Base interactions energy: -112.301
where: short stacking energy: -51.971
Base-Backbone interact. energy: -0.325
local terms energy: -67.895745
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -13.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -103.464236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.464236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.464236 (E_RNA)
where:
Base-Base interactions energy: -46.258
where: short stacking energy: -32.924
Base-Backbone interact. energy: -0.130
local terms energy: -57.076314
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -14.322
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: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -89.015840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.015840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.015840 (E_RNA)
where:
Base-Base interactions energy: -31.115
where: short stacking energy: -31.115
Base-Backbone interact. energy: -0.110
local terms energy: -57.791444
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -11.410
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: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -81.456044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.456044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.456044 (E_RNA)
where:
Base-Base interactions energy: -29.052
where: short stacking energy: -23.716
Base-Backbone interact. energy: -0.090
local terms energy: -52.313905
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: 0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -91.557337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.557337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.557337 (E_RNA)
where:
Base-Base interactions energy: -40.544
where: short stacking energy: -33.404
Base-Backbone interact. energy: -0.121
local terms energy: -50.891889
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -220.728007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.728007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.728007 (E_RNA)
where:
Base-Base interactions energy: -153.612
where: short stacking energy: -64.516
Base-Backbone interact. energy: -0.552
local terms energy: -66.564733
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -8.052
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: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -204.653233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.653233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.653233 (E_RNA)
where:
Base-Base interactions energy: -127.151
where: short stacking energy: -65.823
Base-Backbone interact. energy: -0.468
local terms energy: -77.034011
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -18.286
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: 3, replica: 10
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -206.122020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.122020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.122020 (E_RNA)
where:
Base-Base interactions energy: -139.098
where: short stacking energy: -60.438
Base-Backbone interact. energy: -0.090
local terms energy: -66.934552
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -198.920824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.920824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.920824 (E_RNA)
where:
Base-Base interactions energy: -131.347
where: short stacking energy: -65.941
Base-Backbone interact. energy: -0.011
local terms energy: -67.563509
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -11.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -184.837583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.837583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.837583 (E_RNA)
where:
Base-Base interactions energy: -118.550
where: short stacking energy: -42.183
Base-Backbone interact. energy: -1.158
local terms energy: -65.129285
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -6.605
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: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -178.276888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.276888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.276888 (E_RNA)
where:
Base-Base interactions energy: -113.492
where: short stacking energy: -58.727
Base-Backbone interact. energy: 1.174
local terms energy: -65.959390
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -95.173309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.173309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.173309 (E_RNA)
where:
Base-Base interactions energy: -43.155
where: short stacking energy: -31.323
Base-Backbone interact. energy: -0.565
local terms energy: -51.453486
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -92.553515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.553515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.553515 (E_RNA)
where:
Base-Base interactions energy: -39.000
where: short stacking energy: -29.821
Base-Backbone interact. energy: -0.835
local terms energy: -52.718218
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -8.864
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: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -97.455059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.455059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.455059 (E_RNA)
where:
Base-Base interactions energy: -45.505
where: short stacking energy: -44.645
Base-Backbone interact. energy: -0.116
local terms energy: -51.834291
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -10.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -83.293191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.293191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.293191 (E_RNA)
where:
Base-Base interactions energy: -27.691
where: short stacking energy: -26.329
Base-Backbone interact. energy: -0.045
local terms energy: -55.557611
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -11.328
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: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -225.989270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.989270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.989270 (E_RNA)
where:
Base-Base interactions energy: -155.711
where: short stacking energy: -65.005
Base-Backbone interact. energy: -0.164
local terms energy: -70.114046
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -8.702
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: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -220.112768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.112768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.112768 (E_RNA)
where:
Base-Base interactions energy: -140.867
where: short stacking energy: -68.875
Base-Backbone interact. energy: -1.313
local terms energy: -77.932753
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -197.813449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.813449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.813449 (E_RNA)
where:
Base-Base interactions energy: -128.143
where: short stacking energy: -61.100
Base-Backbone interact. energy: -0.889
local terms energy: -68.781091
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -9.368
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: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -184.443468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.443468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.443468 (E_RNA)
where:
Base-Base interactions energy: -111.964
where: short stacking energy: -59.639
Base-Backbone interact. energy: -2.144
local terms energy: -70.336152
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -207.158168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.158168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.158168 (E_RNA)
where:
Base-Base interactions energy: -133.637
where: short stacking energy: -57.978
Base-Backbone interact. energy: -0.068
local terms energy: -73.452761
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -179.591053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.591053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.591053 (E_RNA)
where:
Base-Base interactions energy: -113.286
where: short stacking energy: -64.131
Base-Backbone interact. energy: -0.016
local terms energy: -66.289092
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -17.368
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: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -105.548251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.548251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.548251 (E_RNA)
where:
Base-Base interactions energy: -49.356
where: short stacking energy: -34.838
Base-Backbone interact. energy: -0.513
local terms energy: -55.679080
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -115.723882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.723882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.723882 (E_RNA)
where:
Base-Base interactions energy: -52.107
where: short stacking energy: -52.015
Base-Backbone interact. energy: -0.105
local terms energy: -63.511350
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -10.959
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -85.873632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.873632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.873632 (E_RNA)
where:
Base-Base interactions energy: -34.565
where: short stacking energy: -26.466
Base-Backbone interact. energy: 1.953
local terms energy: -53.261701
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -85.633740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.633740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.633740 (E_RNA)
where:
Base-Base interactions energy: -41.817
where: short stacking energy: -35.983
Base-Backbone interact. energy: 1.704
local terms energy: -45.521142
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -6.678
flat angles P-C4'-P energy: -9.584
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: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -243.650573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.650573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.650573 (E_RNA)
where:
Base-Base interactions energy: -167.326
where: short stacking energy: -72.958
Base-Backbone interact. energy: -0.320
local terms energy: -76.004495
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -9.232
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: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -212.712158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.712158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.712158 (E_RNA)
where:
Base-Base interactions energy: -135.976
where: short stacking energy: -70.451
Base-Backbone interact. energy: -2.259
local terms energy: -74.477167
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -10.478
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: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -200.461240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.461240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.461240 (E_RNA)
where:
Base-Base interactions energy: -118.989
where: short stacking energy: -69.468
Base-Backbone interact. energy: -0.580
local terms energy: -80.891416
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -166.319655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.319655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.319655 (E_RNA)
where:
Base-Base interactions energy: -101.360
where: short stacking energy: -44.818
Base-Backbone interact. energy: -0.391
local terms energy: -64.569199
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -13.253
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: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -183.344906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.344906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.344906 (E_RNA)
where:
Base-Base interactions energy: -110.408
where: short stacking energy: -63.778
Base-Backbone interact. energy: -0.690
local terms energy: -72.246928
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -174.046151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.046151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.046151 (E_RNA)
where:
Base-Base interactions energy: -109.223
where: short stacking energy: -41.278
Base-Backbone interact. energy: -0.643
local terms energy: -64.180484
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -104.937188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.937188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.937188 (E_RNA)
where:
Base-Base interactions energy: -50.407
where: short stacking energy: -38.434
Base-Backbone interact. energy: 0.923
local terms energy: -55.452805
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -92.945337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.945337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.945337 (E_RNA)
where:
Base-Base interactions energy: -36.883
where: short stacking energy: -31.537
Base-Backbone interact. energy: -0.218
local terms energy: -55.844330
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -87.938842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.938842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.938842 (E_RNA)
where:
Base-Base interactions energy: -30.467
where: short stacking energy: -27.827
Base-Backbone interact. energy: -0.551
local terms energy: -56.920616
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -8.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -83.634984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.634984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.634984 (E_RNA)
where:
Base-Base interactions energy: -32.209
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.151
local terms energy: -51.275114
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -2.736
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: 1, replica: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -239.716226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.716226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.716226 (E_RNA)
where:
Base-Base interactions energy: -166.702
where: short stacking energy: -73.812
Base-Backbone interact. energy: -0.304
local terms energy: -72.710285
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -19.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -213.367231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.367231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.367231 (E_RNA)
where:
Base-Base interactions energy: -130.268
where: short stacking energy: -69.362
Base-Backbone interact. energy: -0.004
local terms energy: -83.094739
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -22.913
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: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -206.621537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.621537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.621537 (E_RNA)
where:
Base-Base interactions energy: -131.119
where: short stacking energy: -69.339
Base-Backbone interact. energy: -0.986
local terms energy: -74.516090
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.482
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: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -207.047729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.047729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.047729 (E_RNA)
where:
Base-Base interactions energy: -136.272
where: short stacking energy: -53.116
Base-Backbone interact. energy: -0.817
local terms energy: -69.958345
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -197.162203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.162203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.162203 (E_RNA)
where:
Base-Base interactions energy: -130.946
where: short stacking energy: -62.414
Base-Backbone interact. energy: -0.005
local terms energy: -66.210615
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -181.566601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.566601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.566601 (E_RNA)
where:
Base-Base interactions energy: -118.861
where: short stacking energy: -49.394
Base-Backbone interact. energy: -0.012
local terms energy: -62.693104
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -115.596781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.596781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.596781 (E_RNA)
where:
Base-Base interactions energy: -57.557
where: short stacking energy: -57.557
Base-Backbone interact. energy: -0.148
local terms energy: -57.891678
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -99.066968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.066968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.066968 (E_RNA)
where:
Base-Base interactions energy: -47.073
where: short stacking energy: -37.891
Base-Backbone interact. energy: -0.161
local terms energy: -51.832728
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -7.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -94.460902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.460902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.460902 (E_RNA)
where:
Base-Base interactions energy: -46.549
where: short stacking energy: -28.995
Base-Backbone interact. energy: -0.249
local terms energy: -47.663631
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -3.512
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: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -75.821239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.821239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.821239 (E_RNA)
where:
Base-Base interactions energy: -34.654
where: short stacking energy: -27.241
Base-Backbone interact. energy: 0.152
local terms energy: -41.319228
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -242.233244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.233244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.233244 (E_RNA)
where:
Base-Base interactions energy: -165.537
where: short stacking energy: -74.003
Base-Backbone interact. energy: -0.036
local terms energy: -76.660814
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -234.836841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.836841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.836841 (E_RNA)
where:
Base-Base interactions energy: -156.084
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.261
local terms energy: -78.492101
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -20.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -213.199125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.199125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.199125 (E_RNA)
where:
Base-Base interactions energy: -144.985
where: short stacking energy: -64.530
Base-Backbone interact. energy: -0.396
local terms energy: -67.818159
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -188.782852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.782852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.782852 (E_RNA)
where:
Base-Base interactions energy: -120.623
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.325
local terms energy: -67.834946
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -171.400012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.400012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.400012 (E_RNA)
where:
Base-Base interactions energy: -105.568
where: short stacking energy: -47.209
Base-Backbone interact. energy: -0.723
local terms energy: -65.109133
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -10.239
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: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -157.371614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.371614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.371614 (E_RNA)
where:
Base-Base interactions energy: -92.002
where: short stacking energy: -52.441
Base-Backbone interact. energy: -0.216
local terms energy: -65.152824
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -83.290087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.290087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.290087 (E_RNA)
where:
Base-Base interactions energy: -30.991
where: short stacking energy: -21.136
Base-Backbone interact. energy: -1.205
local terms energy: -51.093922
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -94.195019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.195019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.195019 (E_RNA)
where:
Base-Base interactions energy: -43.096
where: short stacking energy: -41.921
Base-Backbone interact. energy: -0.030
local terms energy: -51.068737
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -8.810
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -84.621592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.621592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.621592 (E_RNA)
where:
Base-Base interactions energy: -33.803
where: short stacking energy: -32.256
Base-Backbone interact. energy: -0.098
local terms energy: -50.721101
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -4.242
tors. eta vs tors. theta energy: -4.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -79.670087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.670087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.670087 (E_RNA)
where:
Base-Base interactions energy: -36.260
where: short stacking energy: -34.718
Base-Backbone interact. energy: 0.223
local terms energy: -43.632691
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -249.844064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.844064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.844064 (E_RNA)
where:
Base-Base interactions energy: -168.750
where: short stacking energy: -75.089
Base-Backbone interact. energy: -0.073
local terms energy: -81.021170
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -214.625261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.625261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.625261 (E_RNA)
where:
Base-Base interactions energy: -143.410
where: short stacking energy: -69.029
Base-Backbone interact. energy: -0.435
local terms energy: -70.780385
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -233.101268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.101268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.101268 (E_RNA)
where:
Base-Base interactions energy: -149.750
where: short stacking energy: -72.907
Base-Backbone interact. energy: -0.649
local terms energy: -82.702136
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -205.251253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.251253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.251253 (E_RNA)
where:
Base-Base interactions energy: -136.392
where: short stacking energy: -54.402
Base-Backbone interact. energy: -1.168
local terms energy: -67.691211
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -6.382
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: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -165.985916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.985916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.985916 (E_RNA)
where:
Base-Base interactions energy: -104.746
where: short stacking energy: -42.195
Base-Backbone interact. energy: -1.833
local terms energy: -59.407016
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -169.817459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.817459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.817459 (E_RNA)
where:
Base-Base interactions energy: -104.923
where: short stacking energy: -50.368
Base-Backbone interact. energy: 0.082
local terms energy: -64.977047
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -110.714396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714396 (E_RNA)
where:
Base-Base interactions energy: -63.007
where: short stacking energy: -32.045
Base-Backbone interact. energy: -0.298
local terms energy: -47.409296
where:
bonds (distance) C4'-P energy: -8.319
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -5.447
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: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -89.698496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.698496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.698496 (E_RNA)
where:
Base-Base interactions energy: -26.011
where: short stacking energy: -24.747
Base-Backbone interact. energy: -0.142
local terms energy: -63.545624
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -7.195
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: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -91.589715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.589715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.589715 (E_RNA)
where:
Base-Base interactions energy: -40.578
where: short stacking energy: -37.052
Base-Backbone interact. energy: 1.857
local terms energy: -52.869264
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -80.459079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.459079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.459079 (E_RNA)
where:
Base-Base interactions energy: -36.739
where: short stacking energy: -31.390
Base-Backbone interact. energy: 0.755
local terms energy: -44.475604
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -2.726
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -247.089017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.089017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.089017 (E_RNA)
where:
Base-Base interactions energy: -175.935
where: short stacking energy: -72.818
Base-Backbone interact. energy: -0.291
local terms energy: -70.863282
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -18.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -229.496566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.496566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.496566 (E_RNA)
where:
Base-Base interactions energy: -153.070
where: short stacking energy: -67.409
Base-Backbone interact. energy: -0.229
local terms energy: -76.198322
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -9.626
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: 3, replica: 10
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -233.087370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.087370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.087370 (E_RNA)
where:
Base-Base interactions energy: -149.967
where: short stacking energy: -72.597
Base-Backbone interact. energy: -1.689
local terms energy: -81.431244
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -228.258240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.258240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.258240 (E_RNA)
where:
Base-Base interactions energy: -149.955
where: short stacking energy: -78.837
Base-Backbone interact. energy: -0.156
local terms energy: -78.146312
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -21.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -175.238133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.238133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.238133 (E_RNA)
where:
Base-Base interactions energy: -112.431
where: short stacking energy: -52.721
Base-Backbone interact. energy: -0.687
local terms energy: -62.119474
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -10.908
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: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -176.739876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.739876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.739876 (E_RNA)
where:
Base-Base interactions energy: -105.559
where: short stacking energy: -55.141
Base-Backbone interact. energy: -0.013
local terms energy: -71.168126
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -11.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -102.301896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.301896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.301896 (E_RNA)
where:
Base-Base interactions energy: -45.353
where: short stacking energy: -41.803
Base-Backbone interact. energy: -0.025
local terms energy: -56.923404
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -10.252
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: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -98.964146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.964146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.964146 (E_RNA)
where:
Base-Base interactions energy: -45.449
where: short stacking energy: -34.062
Base-Backbone interact. energy: -0.017
local terms energy: -53.498329
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -2.884
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: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -84.084573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.084573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.084573 (E_RNA)
where:
Base-Base interactions energy: -28.311
where: short stacking energy: -25.807
Base-Backbone interact. energy: -0.139
local terms energy: -55.634247
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -11.017
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: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -81.051576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.051576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.051576 (E_RNA)
where:
Base-Base interactions energy: -30.080
where: short stacking energy: -27.433
Base-Backbone interact. energy: 1.614
local terms energy: -52.585655
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -253.859234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.859234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.859234 (E_RNA)
where:
Base-Base interactions energy: -175.473
where: short stacking energy: -70.733
Base-Backbone interact. energy: -0.459
local terms energy: -77.927192
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -208.330320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.330320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.330320 (E_RNA)
where:
Base-Base interactions energy: -133.482
where: short stacking energy: -69.845
Base-Backbone interact. energy: 1.322
local terms energy: -76.169941
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -11.381
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: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -221.519882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.519882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.519882 (E_RNA)
where:
Base-Base interactions energy: -148.736
where: short stacking energy: -64.848
Base-Backbone interact. energy: -0.153
local terms energy: -72.631556
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -190.687525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.687525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.687525 (E_RNA)
where:
Base-Base interactions energy: -116.031
where: short stacking energy: -68.197
Base-Backbone interact. energy: -0.205
local terms energy: -74.451152
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -193.457754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.457754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.457754 (E_RNA)
where:
Base-Base interactions energy: -117.255
where: short stacking energy: -58.746
Base-Backbone interact. energy: -0.141
local terms energy: -76.061516
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -17.873
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: 6, replica: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -160.819490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.819490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.819490 (E_RNA)
where:
Base-Base interactions energy: -102.460
where: short stacking energy: -42.928
Base-Backbone interact. energy: 0.878
local terms energy: -59.237278
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -9.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -91.165416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.165416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.165416 (E_RNA)
where:
Base-Base interactions energy: -35.175
where: short stacking energy: -33.878
Base-Backbone interact. energy: -0.103
local terms energy: -55.887106
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -88.079946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.079946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.079946 (E_RNA)
where:
Base-Base interactions energy: -34.693
where: short stacking energy: -28.753
Base-Backbone interact. energy: -0.210
local terms energy: -53.177437
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -83.092755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.092755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.092755 (E_RNA)
where:
Base-Base interactions energy: -37.897
where: short stacking energy: -27.636
Base-Backbone interact. energy: -0.740
local terms energy: -44.455286
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -7.854
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -75.252821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.252821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.252821 (E_RNA)
where:
Base-Base interactions energy: -20.567
where: short stacking energy: -16.866
Base-Backbone interact. energy: -1.141
local terms energy: -53.544577
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: 2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -228.443365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.443365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.443365 (E_RNA)
where:
Base-Base interactions energy: -157.897
where: short stacking energy: -67.712
Base-Backbone interact. energy: -1.049
local terms energy: -69.497630
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -17.011
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: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -239.727531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.727531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.727531 (E_RNA)
where:
Base-Base interactions energy: -156.564
where: short stacking energy: -68.965
Base-Backbone interact. energy: -0.071
local terms energy: -83.092064
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -18.838
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: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -226.836749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.836749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.836749 (E_RNA)
where:
Base-Base interactions energy: -159.088
where: short stacking energy: -69.047
Base-Backbone interact. energy: -0.111
local terms energy: -67.637470
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -172.124723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.124723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.124723 (E_RNA)
where:
Base-Base interactions energy: -104.160
where: short stacking energy: -50.931
Base-Backbone interact. energy: -0.322
local terms energy: -67.642279
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -9.156
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: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -192.911871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.911871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.911871 (E_RNA)
where:
Base-Base interactions energy: -123.443
where: short stacking energy: -52.880
Base-Backbone interact. energy: -1.979
local terms energy: -67.490041
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -167.723527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.723527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.723527 (E_RNA)
where:
Base-Base interactions energy: -101.246
where: short stacking energy: -47.510
Base-Backbone interact. energy: -0.533
local terms energy: -65.944885
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -8.274
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: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -117.570210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.570210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.570210 (E_RNA)
where:
Base-Base interactions energy: -44.992
where: short stacking energy: -44.890
Base-Backbone interact. energy: -0.165
local terms energy: -72.413251
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -98.906669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.906669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.906669 (E_RNA)
where:
Base-Base interactions energy: -48.076
where: short stacking energy: -30.633
Base-Backbone interact. energy: -0.306
local terms energy: -50.524094
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -90.215303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.215303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.215303 (E_RNA)
where:
Base-Base interactions energy: -36.712
where: short stacking energy: -36.015
Base-Backbone interact. energy: 1.645
local terms energy: -55.148173
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -9.466
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: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -79.414226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.414226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.414226 (E_RNA)
where:
Base-Base interactions energy: -27.088
where: short stacking energy: -27.006
Base-Backbone interact. energy: -0.412
local terms energy: -51.914074
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -0.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -221.085602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.085602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.085602 (E_RNA)
where:
Base-Base interactions energy: -142.119
where: short stacking energy: -66.908
Base-Backbone interact. energy: -0.405
local terms energy: -78.562057
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -235.289957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.289957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.289957 (E_RNA)
where:
Base-Base interactions energy: -159.337
where: short stacking energy: -62.271
Base-Backbone interact. energy: -0.405
local terms energy: -75.548186
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -235.353343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.353343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.353343 (E_RNA)
where:
Base-Base interactions energy: -159.073
where: short stacking energy: -68.010
Base-Backbone interact. energy: -0.188
local terms energy: -76.091962
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -18.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -209.403461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.403461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.403461 (E_RNA)
where:
Base-Base interactions energy: -139.985
where: short stacking energy: -64.054
Base-Backbone interact. energy: 0.219
local terms energy: -69.638122
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -184.762269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.762269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.762269 (E_RNA)
where:
Base-Base interactions energy: -120.437
where: short stacking energy: -57.621
Base-Backbone interact. energy: -0.003
local terms energy: -64.322373
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -8.522
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -169.536188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.536188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.536188 (E_RNA)
where:
Base-Base interactions energy: -115.481
where: short stacking energy: -54.055
Base-Backbone interact. energy: -0.043
local terms energy: -54.012184
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -10.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -102.419960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.419960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.419960 (E_RNA)
where:
Base-Base interactions energy: -45.887
where: short stacking energy: -43.382
Base-Backbone interact. energy: -0.056
local terms energy: -56.476468
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -8.450
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -85.127489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.127489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.127489 (E_RNA)
where:
Base-Base interactions energy: -30.042
where: short stacking energy: -28.239
Base-Backbone interact. energy: -0.074
local terms energy: -55.011382
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -10.343
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: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -79.561795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.561795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.561795 (E_RNA)
where:
Base-Base interactions energy: -25.111
where: short stacking energy: -24.575
Base-Backbone interact. energy: -0.261
local terms energy: -54.189192
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -5.913
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: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -85.506075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.506075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.506075 (E_RNA)
where:
Base-Base interactions energy: -32.762
where: short stacking energy: -32.762
Base-Backbone interact. energy: -0.038
local terms energy: -52.705836
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -248.231519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.231519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.231519 (E_RNA)
where:
Base-Base interactions energy: -165.865
where: short stacking energy: -69.897
Base-Backbone interact. energy: -0.379
local terms energy: -81.987422
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -18.095
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: 2, replica: 10
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -242.701449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.701449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.701449 (E_RNA)
where:
Base-Base interactions energy: -163.138
where: short stacking energy: -68.010
Base-Backbone interact. energy: -0.040
local terms energy: -79.524089
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -21.211
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: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -234.968126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.968126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.968126 (E_RNA)
where:
Base-Base interactions energy: -157.281
where: short stacking energy: -67.425
Base-Backbone interact. energy: -0.102
local terms energy: -77.584900
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -204.405035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.405035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.405035 (E_RNA)
where:
Base-Base interactions energy: -127.948
where: short stacking energy: -61.105
Base-Backbone interact. energy: -0.445
local terms energy: -76.012426
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.256
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: 5, replica: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -180.706082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.706082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.706082 (E_RNA)
where:
Base-Base interactions energy: -119.029
where: short stacking energy: -46.636
Base-Backbone interact. energy: -0.404
local terms energy: -61.272699
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -167.177029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.177029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.177029 (E_RNA)
where:
Base-Base interactions energy: -102.910
where: short stacking energy: -58.025
Base-Backbone interact. energy: -0.101
local terms energy: -64.165886
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -94.096416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.096416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.096416 (E_RNA)
where:
Base-Base interactions energy: -33.720
where: short stacking energy: -30.300
Base-Backbone interact. energy: -0.035
local terms energy: -60.342358
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -8.934
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: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -88.646488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.646488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.646488 (E_RNA)
where:
Base-Base interactions energy: -43.594
where: short stacking energy: -34.612
Base-Backbone interact. energy: 0.853
local terms energy: -45.905557
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: 3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -90.709124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.709124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.709124 (E_RNA)
where:
Base-Base interactions energy: -35.206
where: short stacking energy: -35.122
Base-Backbone interact. energy: -0.206
local terms energy: -55.297152
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -7.678
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: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -93.081496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.081496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.081496 (E_RNA)
where:
Base-Base interactions energy: -41.033
where: short stacking energy: -34.372
Base-Backbone interact. energy: 1.211
local terms energy: -53.259313
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -242.020965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.020965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.020965 (E_RNA)
where:
Base-Base interactions energy: -160.254
where: short stacking energy: -67.379
Base-Backbone interact. energy: -0.078
local terms energy: -81.689232
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -243.356179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.356179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.356179 (E_RNA)
where:
Base-Base interactions energy: -166.195
where: short stacking energy: -70.032
Base-Backbone interact. energy: 0.335
local terms energy: -77.496145
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -17.655
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: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -207.518856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.518856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.518856 (E_RNA)
where:
Base-Base interactions energy: -137.519
where: short stacking energy: -70.226
Base-Backbone interact. energy: -0.328
local terms energy: -69.671551
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -185.409206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.409206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.409206 (E_RNA)
where:
Base-Base interactions energy: -119.416
where: short stacking energy: -56.880
Base-Backbone interact. energy: -0.106
local terms energy: -65.888032
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -197.182751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.182751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.182751 (E_RNA)
where:
Base-Base interactions energy: -125.832
where: short stacking energy: -53.371
Base-Backbone interact. energy: -1.940
local terms energy: -69.410373
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -3.857
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: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -159.435583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.435583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.435583 (E_RNA)
where:
Base-Base interactions energy: -93.639
where: short stacking energy: -54.876
Base-Backbone interact. energy: -0.042
local terms energy: -65.754662
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -16.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -92.284223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.284223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.284223 (E_RNA)
where:
Base-Base interactions energy: -39.725
where: short stacking energy: -39.925
Base-Backbone interact. energy: -0.098
local terms energy: -52.461377
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -92.844036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.844036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.844036 (E_RNA)
where:
Base-Base interactions energy: -28.715
where: short stacking energy: -28.715
Base-Backbone interact. energy: -0.076
local terms energy: -64.053105
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -6.785
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: 61
Temperature: 1.300000
Total energy: -98.089230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.089230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.089230 (E_RNA)
where:
Base-Base interactions energy: -40.942
where: short stacking energy: -40.942
Base-Backbone interact. energy: -0.009
local terms energy: -57.138306
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -10.833
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: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -87.355233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.355233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.355233 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -31.905
Base-Backbone interact. energy: -0.900
local terms energy: -51.522287
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -242.089513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.089513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.089513 (E_RNA)
where:
Base-Base interactions energy: -161.131
where: short stacking energy: -70.830
Base-Backbone interact. energy: -0.137
local terms energy: -80.820743
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -11.974
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: 10
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -221.233205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.233205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.233205 (E_RNA)
where:
Base-Base interactions energy: -140.058
where: short stacking energy: -69.429
Base-Backbone interact. energy: -0.105
local terms energy: -81.070727
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -11.030
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: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -217.338356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.338356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.338356 (E_RNA)
where:
Base-Base interactions energy: -153.588
where: short stacking energy: -69.080
Base-Backbone interact. energy: -0.439
local terms energy: -63.311676
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -8.207
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: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -205.645108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.645108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.645108 (E_RNA)
where:
Base-Base interactions energy: -143.287
where: short stacking energy: -60.257
Base-Backbone interact. energy: -0.556
local terms energy: -61.801424
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -2.602
tors. eta vs tors. theta energy: -15.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -160.299189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.299189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.299189 (E_RNA)
where:
Base-Base interactions energy: -100.875
where: short stacking energy: -63.126
Base-Backbone interact. energy: -0.168
local terms energy: -59.255865
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -165.576532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.576532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.576532 (E_RNA)
where:
Base-Base interactions energy: -98.462
where: short stacking energy: -38.857
Base-Backbone interact. energy: -1.566
local terms energy: -65.548197
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -96.194143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.194143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.194143 (E_RNA)
where:
Base-Base interactions energy: -34.407
where: short stacking energy: -31.014
Base-Backbone interact. energy: -0.170
local terms energy: -61.616972
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -107.377506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.377506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.377506 (E_RNA)
where:
Base-Base interactions energy: -43.712
where: short stacking energy: -43.712
Base-Backbone interact. energy: -0.019
local terms energy: -63.647115
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -11.101
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: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -85.742910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.742910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.742910 (E_RNA)
where:
Base-Base interactions energy: -28.395
where: short stacking energy: -26.569
Base-Backbone interact. energy: -0.041
local terms energy: -57.307332
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -91.788012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.788012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.788012 (E_RNA)
where:
Base-Base interactions energy: -35.508
where: short stacking energy: -21.706
Base-Backbone interact. energy: -0.150
local terms energy: -56.130433
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: 0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -248.856931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.856931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.856931 (E_RNA)
where:
Base-Base interactions energy: -168.003
where: short stacking energy: -67.947
Base-Backbone interact. energy: -0.762
local terms energy: -80.091957
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -18.945
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: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -229.515577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.515577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.515577 (E_RNA)
where:
Base-Base interactions energy: -152.740
where: short stacking energy: -68.909
Base-Backbone interact. energy: -0.131
local terms energy: -76.644592
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -21.279
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: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -226.326393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.326393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.326393 (E_RNA)
where:
Base-Base interactions energy: -150.031
where: short stacking energy: -68.125
Base-Backbone interact. energy: -0.388
local terms energy: -75.907941
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -13.062
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: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -209.185838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.185838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.185838 (E_RNA)
where:
Base-Base interactions energy: -133.350
where: short stacking energy: -60.766
Base-Backbone interact. energy: -0.531
local terms energy: -75.304782
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -10.106
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: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -181.208758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.208758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.208758 (E_RNA)
where:
Base-Base interactions energy: -125.031
where: short stacking energy: -57.859
Base-Backbone interact. energy: -0.919
local terms energy: -55.258984
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -164.161475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.161475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.161475 (E_RNA)
where:
Base-Base interactions energy: -91.220
where: short stacking energy: -43.456
Base-Backbone interact. energy: -0.714
local terms energy: -72.226948
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -13.205
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: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -113.810117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.810117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.810117 (E_RNA)
where:
Base-Base interactions energy: -51.627
where: short stacking energy: -42.074
Base-Backbone interact. energy: -0.177
local terms energy: -62.006829
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -8.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -89.956784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.956784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.956784 (E_RNA)
where:
Base-Base interactions energy: -36.566
where: short stacking energy: -32.389
Base-Backbone interact. energy: -0.154
local terms energy: -53.236401
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -89.781832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.781832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.781832 (E_RNA)
where:
Base-Base interactions energy: -41.643
where: short stacking energy: -29.855
Base-Backbone interact. energy: 1.361
local terms energy: -49.500382
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -97.731222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.731222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.731222 (E_RNA)
where:
Base-Base interactions energy: -37.847
where: short stacking energy: -37.847
Base-Backbone interact. energy: -0.162
local terms energy: -59.721778
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -233.748658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.748658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.748658 (E_RNA)
where:
Base-Base interactions energy: -153.650
where: short stacking energy: -73.706
Base-Backbone interact. energy: -0.043
local terms energy: -80.055412
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -237.126437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.126437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.126437 (E_RNA)
where:
Base-Base interactions energy: -164.809
where: short stacking energy: -71.062
Base-Backbone interact. energy: -0.729
local terms energy: -71.587834
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -220.678881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.678881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.678881 (E_RNA)
where:
Base-Base interactions energy: -151.324
where: short stacking energy: -68.568
Base-Backbone interact. energy: -0.430
local terms energy: -68.924962
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -192.653313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.653313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.653313 (E_RNA)
where:
Base-Base interactions energy: -127.414
where: short stacking energy: -53.758
Base-Backbone interact. energy: -0.391
local terms energy: -64.848414
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -180.346463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.346463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.346463 (E_RNA)
where:
Base-Base interactions energy: -103.964
where: short stacking energy: -48.846
Base-Backbone interact. energy: -0.031
local terms energy: -76.351418
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -11.300
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: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -168.827860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.827860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.827860 (E_RNA)
where:
Base-Base interactions energy: -104.759
where: short stacking energy: -43.104
Base-Backbone interact. energy: -1.331
local terms energy: -62.737951
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -7.898
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: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -114.676981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.676981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.676981 (E_RNA)
where:
Base-Base interactions energy: -60.675
where: short stacking energy: -30.724
Base-Backbone interact. energy: 0.124
local terms energy: -54.126205
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -103.527950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.527950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.527950 (E_RNA)
where:
Base-Base interactions energy: -48.167
where: short stacking energy: -25.849
Base-Backbone interact. energy: -0.086
local terms energy: -55.275685
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -109.458075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.458075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.458075 (E_RNA)
where:
Base-Base interactions energy: -55.365
where: short stacking energy: -42.521
Base-Backbone interact. energy: -0.068
local terms energy: -54.025505
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -2.448
tors. eta vs tors. theta energy: -6.120
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: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -79.964309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.964309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.964309 (E_RNA)
where:
Base-Base interactions energy: -34.090
where: short stacking energy: -25.592
Base-Backbone interact. energy: -0.157
local terms energy: -45.717492
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -0.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -242.322499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.322499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.322499 (E_RNA)
where:
Base-Base interactions energy: -154.281
where: short stacking energy: -80.711
Base-Backbone interact. energy: -0.148
local terms energy: -87.893104
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -232.453751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.453751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.453751 (E_RNA)
where:
Base-Base interactions energy: -158.394
where: short stacking energy: -61.779
Base-Backbone interact. energy: -0.373
local terms energy: -73.685967
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -15.539
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: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -229.584902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.584902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.584902 (E_RNA)
where:
Base-Base interactions energy: -139.201
where: short stacking energy: -73.265
Base-Backbone interact. energy: -1.212
local terms energy: -89.171924
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -25.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -201.883172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.883172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.883172 (E_RNA)
where:
Base-Base interactions energy: -128.893
where: short stacking energy: -54.211
Base-Backbone interact. energy: -0.592
local terms energy: -72.397316
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -12.280
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: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -187.093113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.093113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.093113 (E_RNA)
where:
Base-Base interactions energy: -120.367
where: short stacking energy: -58.796
Base-Backbone interact. energy: -0.419
local terms energy: -66.307839
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -168.824137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.824137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.824137 (E_RNA)
where:
Base-Base interactions energy: -110.741
where: short stacking energy: -51.292
Base-Backbone interact. energy: -0.062
local terms energy: -58.021435
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -3.809
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -138.808504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.808504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.808504 (E_RNA)
where:
Base-Base interactions energy: -84.775
where: short stacking energy: -39.182
Base-Backbone interact. energy: -0.094
local terms energy: -53.938879
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -8.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -117.261794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.261794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.261794 (E_RNA)
where:
Base-Base interactions energy: -56.037
where: short stacking energy: -51.325
Base-Backbone interact. energy: -0.761
local terms energy: -60.463944
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -94.470795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.470795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.470795 (E_RNA)
where:
Base-Base interactions energy: -44.307
where: short stacking energy: -27.497
Base-Backbone interact. energy: -0.050
local terms energy: -50.114087
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -8.730
flat angles P-C4'-P energy: -10.394
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: 10, replica: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -79.181360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.181360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.181360 (E_RNA)
where:
Base-Base interactions energy: -31.459
where: short stacking energy: -31.459
Base-Backbone interact. energy: -0.118
local terms energy: -47.604792
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: 0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -240.654725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.654725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.654725 (E_RNA)
where:
Base-Base interactions energy: -164.364
where: short stacking energy: -70.633
Base-Backbone interact. energy: -0.711
local terms energy: -75.579768
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -21.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -232.340796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.340796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.340796 (E_RNA)
where:
Base-Base interactions energy: -149.757
where: short stacking energy: -66.683
Base-Backbone interact. energy: 0.164
local terms energy: -82.747916
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -22.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -230.821144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.821144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.821144 (E_RNA)
where:
Base-Base interactions energy: -158.073
where: short stacking energy: -76.101
Base-Backbone interact. energy: -1.230
local terms energy: -71.517975
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -209.573688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.573688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.573688 (E_RNA)
where:
Base-Base interactions energy: -142.677
where: short stacking energy: -66.484
Base-Backbone interact. energy: -1.419
local terms energy: -65.477348
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -156.273089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.273089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.273089 (E_RNA)
where:
Base-Base interactions energy: -96.985
where: short stacking energy: -48.111
Base-Backbone interact. energy: -1.257
local terms energy: -58.031166
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -176.834907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.834907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.834907 (E_RNA)
where:
Base-Base interactions energy: -120.284
where: short stacking energy: -48.824
Base-Backbone interact. energy: -0.579
local terms energy: -55.972349
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -11.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -149.241976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.241976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.241976 (E_RNA)
where:
Base-Base interactions energy: -95.543
where: short stacking energy: -39.097
Base-Backbone interact. energy: 0.444
local terms energy: -54.143237
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -108.246404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.246404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.246404 (E_RNA)
where:
Base-Base interactions energy: -44.387
where: short stacking energy: -44.387
Base-Backbone interact. energy: -0.102
local terms energy: -63.756741
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -5.773
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: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -83.972517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.972517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.972517 (E_RNA)
where:
Base-Base interactions energy: -32.080
where: short stacking energy: -32.080
Base-Backbone interact. energy: 0.619
local terms energy: -52.511516
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -12.735
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: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -91.781999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.781999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.781999 (E_RNA)
where:
Base-Base interactions energy: -39.716
where: short stacking energy: -29.476
Base-Backbone interact. energy: -0.008
local terms energy: -52.057326
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: 1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -244.715853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.715853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.715853 (E_RNA)
where:
Base-Base interactions energy: -161.553
where: short stacking energy: -67.965
Base-Backbone interact. energy: -0.138
local terms energy: -83.024663
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -13.908
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: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -215.161685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.161685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.161685 (E_RNA)
where:
Base-Base interactions energy: -139.013
where: short stacking energy: -65.588
Base-Backbone interact. energy: -0.696
local terms energy: -75.452165
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -240.642462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.642462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.642462 (E_RNA)
where:
Base-Base interactions energy: -164.068
where: short stacking energy: -66.035
Base-Backbone interact. energy: -0.041
local terms energy: -76.532703
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -12.537
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: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -207.521489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.521489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.521489 (E_RNA)
where:
Base-Base interactions energy: -130.172
where: short stacking energy: -62.692
Base-Backbone interact. energy: -0.418
local terms energy: -76.930558
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -11.601
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: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -163.089050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.089050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.089050 (E_RNA)
where:
Base-Base interactions energy: -105.700
where: short stacking energy: -52.601
Base-Backbone interact. energy: -0.784
local terms energy: -56.604690
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -149.041409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.041409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.041409 (E_RNA)
where:
Base-Base interactions energy: -86.302
where: short stacking energy: -47.194
Base-Backbone interact. energy: -1.025
local terms energy: -61.714537
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -11.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -162.553051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.553051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.553051 (E_RNA)
where:
Base-Base interactions energy: -97.526
where: short stacking energy: -35.761
Base-Backbone interact. energy: -0.247
local terms energy: -64.780520
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -9.697
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: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -96.261948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.261948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.261948 (E_RNA)
where:
Base-Base interactions energy: -43.207
where: short stacking energy: -23.874
Base-Backbone interact. energy: -0.114
local terms energy: -52.941286
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -93.179372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.179372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.179372 (E_RNA)
where:
Base-Base interactions energy: -44.119
where: short stacking energy: -33.747
Base-Backbone interact. energy: -0.290
local terms energy: -48.769983
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -83.663078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.663078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.663078 (E_RNA)
where:
Base-Base interactions energy: -41.526
where: short stacking energy: -35.726
Base-Backbone interact. energy: -0.324
local terms energy: -41.813017
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: 2.339
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -252.204377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.204377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.204377 (E_RNA)
where:
Base-Base interactions energy: -175.861
where: short stacking energy: -73.031
Base-Backbone interact. energy: -0.734
local terms energy: -75.608967
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -234.753599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.753599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.753599 (E_RNA)
where:
Base-Base interactions energy: -161.842
where: short stacking energy: -67.341
Base-Backbone interact. energy: -0.303
local terms energy: -72.608581
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -9.717
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: 3, replica: 7
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -228.228895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.228895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.228895 (E_RNA)
where:
Base-Base interactions energy: -155.385
where: short stacking energy: -55.927
Base-Backbone interact. energy: -0.093
local terms energy: -72.750253
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -10.783
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: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -179.968773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.968773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.968773 (E_RNA)
where:
Base-Base interactions energy: -112.631
where: short stacking energy: -54.374
Base-Backbone interact. energy: -0.133
local terms energy: -67.204783
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -166.239869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.239869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.239869 (E_RNA)
where:
Base-Base interactions energy: -100.708
where: short stacking energy: -51.482
Base-Backbone interact. energy: -0.132
local terms energy: -65.399831
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -156.537620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.537620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.537620 (E_RNA)
where:
Base-Base interactions energy: -98.103
where: short stacking energy: -52.696
Base-Backbone interact. energy: -0.252
local terms energy: -58.182477
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -4.876
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: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -170.822351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.822351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.822351 (E_RNA)
where:
Base-Base interactions energy: -107.141
where: short stacking energy: -44.215
Base-Backbone interact. energy: -0.135
local terms energy: -63.546541
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -14.491
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: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -82.211314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.211314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.211314 (E_RNA)
where:
Base-Base interactions energy: -39.449
where: short stacking energy: -37.581
Base-Backbone interact. energy: -0.431
local terms energy: -42.331196
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -7.357
flat angles P-C4'-P energy: -2.305
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: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -91.768492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.768492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.768492 (E_RNA)
where:
Base-Base interactions energy: -41.930
where: short stacking energy: -37.464
Base-Backbone interact. energy: -0.057
local terms energy: -49.781554
where:
bonds (distance) C4'-P energy: -8.151
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -90.202845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.202845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.202845 (E_RNA)
where:
Base-Base interactions energy: -42.037
where: short stacking energy: -38.977
Base-Backbone interact. energy: -0.230
local terms energy: -47.935471
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -8.757
flat angles P-C4'-P energy: -7.829
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: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -242.835240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.835240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.835240 (E_RNA)
where:
Base-Base interactions energy: -169.150
where: short stacking energy: -71.812
Base-Backbone interact. energy: -0.233
local terms energy: -73.452083
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -8.887
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -234.691899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.691899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.691899 (E_RNA)
where:
Base-Base interactions energy: -149.195
where: short stacking energy: -68.843
Base-Backbone interact. energy: -0.018
local terms energy: -85.478024
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -21.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -215.205585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.205585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.205585 (E_RNA)
where:
Base-Base interactions energy: -140.963
where: short stacking energy: -64.533
Base-Backbone interact. energy: 0.341
local terms energy: -74.583718
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -188.666061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.666061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.666061 (E_RNA)
where:
Base-Base interactions energy: -128.313
where: short stacking energy: -53.484
Base-Backbone interact. energy: -0.416
local terms energy: -59.937334
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -11.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -153.503352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.503352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.503352 (E_RNA)
where:
Base-Base interactions energy: -91.458
where: short stacking energy: -42.089
Base-Backbone interact. energy: -0.067
local terms energy: -61.978753
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -170.831032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.831032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.831032 (E_RNA)
where:
Base-Base interactions energy: -107.064
where: short stacking energy: -49.940
Base-Backbone interact. energy: -0.302
local terms energy: -63.464261
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -12.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -157.376569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.376569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.376569 (E_RNA)
where:
Base-Base interactions energy: -96.153
where: short stacking energy: -41.604
Base-Backbone interact. energy: -0.106
local terms energy: -61.117359
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.848
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: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -99.567405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.567405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.567405 (E_RNA)
where:
Base-Base interactions energy: -33.761
where: short stacking energy: -33.761
Base-Backbone interact. energy: -0.114
local terms energy: -65.692378
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -90.577430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.577430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.577430 (E_RNA)
where:
Base-Base interactions energy: -45.097
where: short stacking energy: -45.097
Base-Backbone interact. energy: 0.043
local terms energy: -45.523472
where:
bonds (distance) C4'-P energy: -4.183
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -5.420
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: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -74.048196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.048196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.048196 (E_RNA)
where:
Base-Base interactions energy: -29.087
where: short stacking energy: -23.132
Base-Backbone interact. energy: -0.309
local terms energy: -44.652794
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: 1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -242.209022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.209022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.209022 (E_RNA)
where:
Base-Base interactions energy: -156.913
where: short stacking energy: -77.464
Base-Backbone interact. energy: -0.483
local terms energy: -84.812980
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -23.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -223.768131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.768131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.768131 (E_RNA)
where:
Base-Base interactions energy: -148.649
where: short stacking energy: -60.116
Base-Backbone interact. energy: -0.225
local terms energy: -74.893537
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -16.362
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: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -231.885137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.885137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.885137 (E_RNA)
where:
Base-Base interactions energy: -156.112
where: short stacking energy: -66.419
Base-Backbone interact. energy: -0.531
local terms energy: -75.242145
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -193.471390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.471390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.471390 (E_RNA)
where:
Base-Base interactions energy: -131.046
where: short stacking energy: -55.576
Base-Backbone interact. energy: -0.240
local terms energy: -62.184898
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -11.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -180.654922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.654922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.654922 (E_RNA)
where:
Base-Base interactions energy: -117.392
where: short stacking energy: -66.884
Base-Backbone interact. energy: -0.637
local terms energy: -62.625249
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -173.516324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.516324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.516324 (E_RNA)
where:
Base-Base interactions energy: -105.679
where: short stacking energy: -58.694
Base-Backbone interact. energy: 1.224
local terms energy: -69.061071
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -13.517
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: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -134.517391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.517391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.517391 (E_RNA)
where:
Base-Base interactions energy: -71.861
where: short stacking energy: -47.022
Base-Backbone interact. energy: -0.702
local terms energy: -61.954893
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -11.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -80.760223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.760223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.760223 (E_RNA)
where:
Base-Base interactions energy: -28.127
where: short stacking energy: -24.612
Base-Backbone interact. energy: -0.199
local terms energy: -52.434142
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -9.276
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: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -144.380122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.380122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.380122 (E_RNA)
where:
Base-Base interactions energy: -89.202
where: short stacking energy: -40.752
Base-Backbone interact. energy: -0.186
local terms energy: -54.991774
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -83.523237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.523237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.523237 (E_RNA)
where:
Base-Base interactions energy: -34.854
where: short stacking energy: -24.140
Base-Backbone interact. energy: 1.085
local terms energy: -49.753702
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -237.935882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.935882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.935882 (E_RNA)
where:
Base-Base interactions energy: -165.550
where: short stacking energy: -69.637
Base-Backbone interact. energy: -0.010
local terms energy: -72.375687
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -21.011
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: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -194.532157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.532157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.532157 (E_RNA)
where:
Base-Base interactions energy: -130.607
where: short stacking energy: -57.078
Base-Backbone interact. energy: -0.225
local terms energy: -63.700035
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -230.369076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.369076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.369076 (E_RNA)
where:
Base-Base interactions energy: -155.616
where: short stacking energy: -63.996
Base-Backbone interact. energy: -0.150
local terms energy: -74.602531
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -189.069530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.069530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.069530 (E_RNA)
where:
Base-Base interactions energy: -124.633
where: short stacking energy: -52.610
Base-Backbone interact. energy: 0.228
local terms energy: -64.664259
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -181.092769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.092769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.092769 (E_RNA)
where:
Base-Base interactions energy: -119.579
where: short stacking energy: -53.223
Base-Backbone interact. energy: -0.374
local terms energy: -61.139646
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -10.889
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: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -127.855080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.855080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.855080 (E_RNA)
where:
Base-Base interactions energy: -70.232
where: short stacking energy: -34.046
Base-Backbone interact. energy: 0.107
local terms energy: -57.730512
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -105.198408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.198408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.198408 (E_RNA)
where:
Base-Base interactions energy: -54.988
where: short stacking energy: -42.542
Base-Backbone interact. energy: 1.715
local terms energy: -51.924946
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -6.786
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -9.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -155.626893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.626893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.626893 (E_RNA)
where:
Base-Base interactions energy: -96.090
where: short stacking energy: -50.010
Base-Backbone interact. energy: -1.268
local terms energy: -58.269345
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -87.514932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.514932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.514932 (E_RNA)
where:
Base-Base interactions energy: -39.277
where: short stacking energy: -40.177
Base-Backbone interact. energy: -0.318
local terms energy: -47.919714
where:
bonds (distance) C4'-P energy: -5.903
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -6.150
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: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -91.030786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.030786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.030786 (E_RNA)
where:
Base-Base interactions energy: -40.948
where: short stacking energy: -26.324
Base-Backbone interact. energy: -0.389
local terms energy: -49.693650
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -238.293726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.293726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.293726 (E_RNA)
where:
Base-Base interactions energy: -162.591
where: short stacking energy: -65.629
Base-Backbone interact. energy: -0.028
local terms energy: -75.674659
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -14.295
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: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -231.866424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.866424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.866424 (E_RNA)
where:
Base-Base interactions energy: -150.579
where: short stacking energy: -78.353
Base-Backbone interact. energy: -0.035
local terms energy: -81.252344
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -21.749
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: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -234.594593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.594593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.594593 (E_RNA)
where:
Base-Base interactions energy: -163.772
where: short stacking energy: -70.883
Base-Backbone interact. energy: -0.065
local terms energy: -70.757625
where:
bonds (distance) C4'-P energy: -6.439
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -13.717
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: 4, replica: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -201.693123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.693123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.693123 (E_RNA)
where:
Base-Base interactions energy: -131.583
where: short stacking energy: -61.631
Base-Backbone interact. energy: -0.718
local terms energy: -69.392363
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -10.312
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: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -173.165414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.165414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.165414 (E_RNA)
where:
Base-Base interactions energy: -103.571
where: short stacking energy: -43.613
Base-Backbone interact. energy: -0.408
local terms energy: -69.186201
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -117.302630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.302630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.302630 (E_RNA)
where:
Base-Base interactions energy: -66.119
where: short stacking energy: -28.001
Base-Backbone interact. energy: -1.829
local terms energy: -49.354714
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -6.091
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: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -156.034136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.034136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.034136 (E_RNA)
where:
Base-Base interactions energy: -93.317
where: short stacking energy: -43.154
Base-Backbone interact. energy: 0.237
local terms energy: -62.953547
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -95.558442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.558442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.558442 (E_RNA)
where:
Base-Base interactions energy: -43.533
where: short stacking energy: -26.822
Base-Backbone interact. energy: -0.173
local terms energy: -51.852167
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -8.035
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: 1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -96.256685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.256685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.256685 (E_RNA)
where:
Base-Base interactions energy: -31.144
where: short stacking energy: -28.362
Base-Backbone interact. energy: -0.221
local terms energy: -64.891330
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -13.570
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: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -86.979947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.979947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.979947 (E_RNA)
where:
Base-Base interactions energy: -26.031
where: short stacking energy: -26.031
Base-Backbone interact. energy: -0.103
local terms energy: -60.845774
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -218.406535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.406535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.406535 (E_RNA)
where:
Base-Base interactions energy: -147.365
where: short stacking energy: -54.270
Base-Backbone interact. energy: -0.999
local terms energy: -70.042985
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -240.388305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.388305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.388305 (E_RNA)
where:
Base-Base interactions energy: -159.899
where: short stacking energy: -69.316
Base-Backbone interact. energy: -0.159
local terms energy: -80.330566
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -232.526887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.526887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.526887 (E_RNA)
where:
Base-Base interactions energy: -155.682
where: short stacking energy: -58.256
Base-Backbone interact. energy: 0.390
local terms energy: -77.234776
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -21.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -193.292818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.292818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.292818 (E_RNA)
where:
Base-Base interactions energy: -122.599
where: short stacking energy: -63.511
Base-Backbone interact. energy: -0.122
local terms energy: -70.572187
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -18.009
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: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -191.369954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.369954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.369954 (E_RNA)
where:
Base-Base interactions energy: -119.242
where: short stacking energy: -48.156
Base-Backbone interact. energy: -0.004
local terms energy: -72.123739
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -16.585
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: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -168.327707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.327707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.327707 (E_RNA)
where:
Base-Base interactions energy: -106.100
where: short stacking energy: -60.927
Base-Backbone interact. energy: -0.000
local terms energy: -62.227511
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -109.595140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.595140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.595140 (E_RNA)
where:
Base-Base interactions energy: -58.660
where: short stacking energy: -35.353
Base-Backbone interact. energy: -0.470
local terms energy: -50.465450
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -95.244476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.244476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.244476 (E_RNA)
where:
Base-Base interactions energy: -38.759
where: short stacking energy: -38.759
Base-Backbone interact. energy: -0.045
local terms energy: -56.441081
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -86.914352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.914352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.914352 (E_RNA)
where:
Base-Base interactions energy: -36.243
where: short stacking energy: -35.610
Base-Backbone interact. energy: -0.068
local terms energy: -50.603700
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -90.544439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.544439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.544439 (E_RNA)
where:
Base-Base interactions energy: -43.102
where: short stacking energy: -27.172
Base-Backbone interact. energy: -0.231
local terms energy: -47.211902
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -226.835234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.835234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.835234 (E_RNA)
where:
Base-Base interactions energy: -149.837
where: short stacking energy: -67.367
Base-Backbone interact. energy: -0.359
local terms energy: -76.639540
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -19.734
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: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -239.770486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.770486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.770486 (E_RNA)
where:
Base-Base interactions energy: -157.436
where: short stacking energy: -66.651
Base-Backbone interact. energy: -0.381
local terms energy: -81.953575
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -227.818312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.818312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.818312 (E_RNA)
where:
Base-Base interactions energy: -159.194
where: short stacking energy: -63.258
Base-Backbone interact. energy: -1.048
local terms energy: -67.575948
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -18.105
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: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -173.206028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.206028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.206028 (E_RNA)
where:
Base-Base interactions energy: -103.654
where: short stacking energy: -56.447
Base-Backbone interact. energy: -2.202
local terms energy: -67.349262
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -198.556269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.556269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.556269 (E_RNA)
where:
Base-Base interactions energy: -126.422
where: short stacking energy: -58.476
Base-Backbone interact. energy: -0.118
local terms energy: -72.016562
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -17.327
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: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -182.495241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.495241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.495241 (E_RNA)
where:
Base-Base interactions energy: -118.319
where: short stacking energy: -58.232
Base-Backbone interact. energy: -0.112
local terms energy: -64.064896
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -13.989
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: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -143.489643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.489643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.489643 (E_RNA)
where:
Base-Base interactions energy: -81.197
where: short stacking energy: -50.777
Base-Backbone interact. energy: -0.103
local terms energy: -62.189965
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -95.857570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.857570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.857570 (E_RNA)
where:
Base-Base interactions energy: -42.383
where: short stacking energy: -38.020
Base-Backbone interact. energy: -0.115
local terms energy: -53.359114
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -3.682
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: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -87.401328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.401328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.401328 (E_RNA)
where:
Base-Base interactions energy: -40.457
where: short stacking energy: -31.781
Base-Backbone interact. energy: -0.271
local terms energy: -46.673264
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -2.202
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: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -83.942031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.942031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.942031 (E_RNA)
where:
Base-Base interactions energy: -29.978
where: short stacking energy: -23.496
Base-Backbone interact. energy: -1.107
local terms energy: -52.857640
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: 0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -239.039896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.039896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.039896 (E_RNA)
where:
Base-Base interactions energy: -158.248
where: short stacking energy: -69.964
Base-Backbone interact. energy: -0.130
local terms energy: -80.662577
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -14.445
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: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -235.577927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.577927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.577927 (E_RNA)
where:
Base-Base interactions energy: -159.096
where: short stacking energy: -65.004
Base-Backbone interact. energy: -0.732
local terms energy: -75.749887
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -213.279653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.279653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.279653 (E_RNA)
where:
Base-Base interactions energy: -134.602
where: short stacking energy: -58.171
Base-Backbone interact. energy: -1.295
local terms energy: -77.382513
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -194.312339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.312339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.312339 (E_RNA)
where:
Base-Base interactions energy: -125.470
where: short stacking energy: -59.772
Base-Backbone interact. energy: -0.181
local terms energy: -68.661469
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -190.243994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.243994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.243994 (E_RNA)
where:
Base-Base interactions energy: -117.878
where: short stacking energy: -65.072
Base-Backbone interact. energy: -0.370
local terms energy: -71.995386
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -172.834013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.834013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.834013 (E_RNA)
where:
Base-Base interactions energy: -101.456
where: short stacking energy: -53.566
Base-Backbone interact. energy: -0.166
local terms energy: -71.212142
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -10.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -114.819656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.819656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.819656 (E_RNA)
where:
Base-Base interactions energy: -52.667
where: short stacking energy: -38.402
Base-Backbone interact. energy: -0.019
local terms energy: -62.133860
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -11.680
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: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -85.612587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.612587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.612587 (E_RNA)
where:
Base-Base interactions energy: -44.574
where: short stacking energy: -38.786
Base-Backbone interact. energy: 0.854
local terms energy: -41.893104
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -5.776
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -92.056126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.056126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.056126 (E_RNA)
where:
Base-Base interactions energy: -39.045
where: short stacking energy: -38.705
Base-Backbone interact. energy: -0.091
local terms energy: -52.919971
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -8.338
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -95.436045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.436045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.436045 (E_RNA)
where:
Base-Base interactions energy: -45.161
where: short stacking energy: -26.764
Base-Backbone interact. energy: 0.096
local terms energy: -50.370568
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -4.249
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: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -247.651063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.651063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.651063 (E_RNA)
where:
Base-Base interactions energy: -162.640
where: short stacking energy: -70.797
Base-Backbone interact. energy: -1.269
local terms energy: -83.741234
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -18.993
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: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -233.385678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.385678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.385678 (E_RNA)
where:
Base-Base interactions energy: -155.535
where: short stacking energy: -66.612
Base-Backbone interact. energy: -0.048
local terms energy: -77.802791
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -16.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -215.550240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.550240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.550240 (E_RNA)
where:
Base-Base interactions energy: -136.621
where: short stacking energy: -68.799
Base-Backbone interact. energy: -0.252
local terms energy: -78.677075
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -198.986261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.986261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.986261 (E_RNA)
where:
Base-Base interactions energy: -128.911
where: short stacking energy: -59.206
Base-Backbone interact. energy: -0.092
local terms energy: -69.983608
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -11.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -167.445201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.445201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.445201 (E_RNA)
where:
Base-Base interactions energy: -104.313
where: short stacking energy: -52.571
Base-Backbone interact. energy: 3.259
local terms energy: -66.391726
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -10.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -148.324527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.324527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.324527 (E_RNA)
where:
Base-Base interactions energy: -90.472
where: short stacking energy: -36.407
Base-Backbone interact. energy: -0.233
local terms energy: -57.618621
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -5.176
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: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -101.465953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.465953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.465953 (E_RNA)
where:
Base-Base interactions energy: -50.018
where: short stacking energy: -41.934
Base-Backbone interact. energy: 0.601
local terms energy: -52.048218
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -91.183834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.183834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.183834 (E_RNA)
where:
Base-Base interactions energy: -44.057
where: short stacking energy: -27.157
Base-Backbone interact. energy: 0.515
local terms energy: -47.641999
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -89.554092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.554092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.554092 (E_RNA)
where:
Base-Base interactions energy: -40.265
where: short stacking energy: -21.934
Base-Backbone interact. energy: 0.241
local terms energy: -49.530207
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: 2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -88.762292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.762292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.762292 (E_RNA)
where:
Base-Base interactions energy: -37.869
where: short stacking energy: -32.532
Base-Backbone interact. energy: -0.576
local terms energy: -50.317180
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -6.210
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: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -254.305891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.305891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.305891 (E_RNA)
where:
Base-Base interactions energy: -171.782
where: short stacking energy: -70.992
Base-Backbone interact. energy: -1.409
local terms energy: -81.115748
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -237.646183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.646183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.646183 (E_RNA)
where:
Base-Base interactions energy: -164.499
where: short stacking energy: -69.688
Base-Backbone interact. energy: -0.102
local terms energy: -73.044886
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -17.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -220.777848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.777848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.777848 (E_RNA)
where:
Base-Base interactions energy: -140.661
where: short stacking energy: -66.352
Base-Backbone interact. energy: -0.195
local terms energy: -79.922044
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -205.582480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.582480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.582480 (E_RNA)
where:
Base-Base interactions energy: -126.971
where: short stacking energy: -66.004
Base-Backbone interact. energy: -0.046
local terms energy: -78.565594
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -18.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -178.417665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.417665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.417665 (E_RNA)
where:
Base-Base interactions energy: -114.912
where: short stacking energy: -42.547
Base-Backbone interact. energy: -0.796
local terms energy: -62.710367
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -163.203836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.203836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.203836 (E_RNA)
where:
Base-Base interactions energy: -98.207
where: short stacking energy: -42.424
Base-Backbone interact. energy: -0.510
local terms energy: -64.486155
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -96.863622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.863622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.863622 (E_RNA)
where:
Base-Base interactions energy: -38.932
where: short stacking energy: -38.932
Base-Backbone interact. energy: -0.129
local terms energy: -57.802677
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -87.781995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.781995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.781995 (E_RNA)
where:
Base-Base interactions energy: -31.229
where: short stacking energy: -32.429
Base-Backbone interact. energy: -0.090
local terms energy: -56.463629
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -87.721818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.721818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.721818 (E_RNA)
where:
Base-Base interactions energy: -27.300
where: short stacking energy: -27.300
Base-Backbone interact. energy: -0.104
local terms energy: -60.318270
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -11.620
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: 10, replica: 1
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -83.409657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.409657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.409657 (E_RNA)
where:
Base-Base interactions energy: -34.520
where: short stacking energy: -24.316
Base-Backbone interact. energy: -0.517
local terms energy: -48.372851
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -4.543
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: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -247.832043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.832043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.832043 (E_RNA)
where:
Base-Base interactions energy: -171.346
where: short stacking energy: -71.009
Base-Backbone interact. energy: -0.641
local terms energy: -75.844187
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -231.622840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.622840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.622840 (E_RNA)
where:
Base-Base interactions energy: -156.332
where: short stacking energy: -58.780
Base-Backbone interact. energy: -0.131
local terms energy: -75.159708
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -218.463023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.463023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.463023 (E_RNA)
where:
Base-Base interactions energy: -141.319
where: short stacking energy: -77.814
Base-Backbone interact. energy: -0.003
local terms energy: -77.140975
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -8.733
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: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -211.325118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.325118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.325118 (E_RNA)
where:
Base-Base interactions energy: -142.181
where: short stacking energy: -73.078
Base-Backbone interact. energy: -0.291
local terms energy: -68.852817
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -19.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -186.581512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.581512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.581512 (E_RNA)
where:
Base-Base interactions energy: -121.025
where: short stacking energy: -61.617
Base-Backbone interact. energy: -0.642
local terms energy: -64.914166
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -12.188
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: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -160.506890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.506890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.506890 (E_RNA)
where:
Base-Base interactions energy: -103.655
where: short stacking energy: -48.171
Base-Backbone interact. energy: -0.150
local terms energy: -56.701808
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -96.349023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.349023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.349023 (E_RNA)
where:
Base-Base interactions energy: -40.371
where: short stacking energy: -40.371
Base-Backbone interact. energy: -0.080
local terms energy: -55.897638
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -103.308279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.308279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.308279 (E_RNA)
where:
Base-Base interactions energy: -51.876
where: short stacking energy: -32.768
Base-Backbone interact. energy: -0.352
local terms energy: -51.080223
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -81.025295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.025295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.025295 (E_RNA)
where:
Base-Base interactions energy: -20.165
where: short stacking energy: -19.069
Base-Backbone interact. energy: -0.124
local terms energy: -60.736774
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -9.946
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: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -93.330895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.330895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.330895 (E_RNA)
where:
Base-Base interactions energy: -38.778
where: short stacking energy: -31.751
Base-Backbone interact. energy: -0.446
local terms energy: -54.106843
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -240.543741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.543741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.543741 (E_RNA)
where:
Base-Base interactions energy: -157.661
where: short stacking energy: -84.012
Base-Backbone interact. energy: 0.490
local terms energy: -83.372838
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -23.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -241.066730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.066730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.066730 (E_RNA)
where:
Base-Base interactions energy: -159.749
where: short stacking energy: -69.645
Base-Backbone interact. energy: -0.602
local terms energy: -80.715152
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -13.589
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: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -221.346611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.346611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.346611 (E_RNA)
where:
Base-Base interactions energy: -145.105
where: short stacking energy: -77.637
Base-Backbone interact. energy: 0.117
local terms energy: -76.358653
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -22.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -200.256626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.256626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.256626 (E_RNA)
where:
Base-Base interactions energy: -126.354
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.126
local terms energy: -73.776964
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -186.690004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.690004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.690004 (E_RNA)
where:
Base-Base interactions energy: -112.193
where: short stacking energy: -55.081
Base-Backbone interact. energy: -1.341
local terms energy: -73.155600
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -15.150
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: 6, replica: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -155.578315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.578315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.578315 (E_RNA)
where:
Base-Base interactions energy: -93.450
where: short stacking energy: -35.685
Base-Backbone interact. energy: -0.180
local terms energy: -61.947808
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -8.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -104.070294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.070294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.070294 (E_RNA)
where:
Base-Base interactions energy: -45.070
where: short stacking energy: -40.385
Base-Backbone interact. energy: -0.109
local terms energy: -58.891333
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -100.405897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.405897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.405897 (E_RNA)
where:
Base-Base interactions energy: -59.712
where: short stacking energy: -46.325
Base-Backbone interact. energy: -0.105
local terms energy: -40.589864
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -9.420
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: 4.565
tors. eta vs tors. theta energy: -12.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -80.680067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.680067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.680067 (E_RNA)
where:
Base-Base interactions energy: -39.755
where: short stacking energy: -39.755
Base-Backbone interact. energy: 0.976
local terms energy: -41.901700
where:
bonds (distance) C4'-P energy: -6.966
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -3.219
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: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -93.542303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.542303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.542303 (E_RNA)
where:
Base-Base interactions energy: -44.565
where: short stacking energy: -24.110
Base-Backbone interact. energy: 0.188
local terms energy: -49.164850
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -235.936684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.936684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.936684 (E_RNA)
where:
Base-Base interactions energy: -161.893
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.284
local terms energy: -73.759993
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -16.516
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: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -230.747498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.747498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.747498 (E_RNA)
where:
Base-Base interactions energy: -155.989
where: short stacking energy: -74.564
Base-Backbone interact. energy: 0.698
local terms energy: -75.455657
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -212.297750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.297750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.297750 (E_RNA)
where:
Base-Base interactions energy: -134.534
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.005
local terms energy: -77.758478
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -9.333
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: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -209.708557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.708557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.708557 (E_RNA)
where:
Base-Base interactions energy: -138.614
where: short stacking energy: -70.324
Base-Backbone interact. energy: 0.558
local terms energy: -71.652843
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -172.215414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.215414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.215414 (E_RNA)
where:
Base-Base interactions energy: -101.449
where: short stacking energy: -53.234
Base-Backbone interact. energy: -0.475
local terms energy: -70.291802
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -183.265363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.265363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.265363 (E_RNA)
where:
Base-Base interactions energy: -118.900
where: short stacking energy: -53.485
Base-Backbone interact. energy: -0.058
local terms energy: -64.306889
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -100.207024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.207024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.207024 (E_RNA)
where:
Base-Base interactions energy: -36.966
where: short stacking energy: -37.266
Base-Backbone interact. energy: -0.247
local terms energy: -62.994092
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -102.624186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.624186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.624186 (E_RNA)
where:
Base-Base interactions energy: -46.456
where: short stacking energy: -40.562
Base-Backbone interact. energy: -0.096
local terms energy: -56.072246
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -82.868442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.868442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.868442 (E_RNA)
where:
Base-Base interactions energy: -35.859
where: short stacking energy: -31.566
Base-Backbone interact. energy: -0.202
local terms energy: -46.808397
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -91.230330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.230330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.230330 (E_RNA)
where:
Base-Base interactions energy: -45.139
where: short stacking energy: -38.920
Base-Backbone interact. energy: -0.070
local terms energy: -46.021428
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -243.364454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.364454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.364454 (E_RNA)
where:
Base-Base interactions energy: -166.348
where: short stacking energy: -64.672
Base-Backbone interact. energy: -0.166
local terms energy: -76.850566
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -18.180
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: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -221.725317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.725317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.725317 (E_RNA)
where:
Base-Base interactions energy: -149.553
where: short stacking energy: -67.028
Base-Backbone interact. energy: -0.148
local terms energy: -72.024446
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -14.952
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: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -232.722239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.722239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.722239 (E_RNA)
where:
Base-Base interactions energy: -158.794
where: short stacking energy: -69.337
Base-Backbone interact. energy: -0.584
local terms energy: -73.343805
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -198.976623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.976623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.976623 (E_RNA)
where:
Base-Base interactions energy: -122.189
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.395
local terms energy: -76.393185
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -176.197784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.197784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.197784 (E_RNA)
where:
Base-Base interactions energy: -118.904
where: short stacking energy: -43.147
Base-Backbone interact. energy: -0.586
local terms energy: -56.708162
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -205.523435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.523435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.523435 (E_RNA)
where:
Base-Base interactions energy: -131.231
where: short stacking energy: -66.298
Base-Backbone interact. energy: 0.021
local terms energy: -74.313388
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -94.442555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.442555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.442555 (E_RNA)
where:
Base-Base interactions energy: -43.776
where: short stacking energy: -28.603
Base-Backbone interact. energy: -0.192
local terms energy: -50.474029
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -110.297829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.297829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.297829 (E_RNA)
where:
Base-Base interactions energy: -51.821
where: short stacking energy: -34.585
Base-Backbone interact. energy: -0.206
local terms energy: -58.271721
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -81.570579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.570579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.570579 (E_RNA)
where:
Base-Base interactions energy: -31.780
where: short stacking energy: -27.154
Base-Backbone interact. energy: 0.009
local terms energy: -49.799465
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -85.210130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.210130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.210130 (E_RNA)
where:
Base-Base interactions energy: -33.971
where: short stacking energy: -23.178
Base-Backbone interact. energy: -0.080
local terms energy: -51.158970
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: 1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -241.956604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.956604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.956604 (E_RNA)
where:
Base-Base interactions energy: -162.533
where: short stacking energy: -63.608
Base-Backbone interact. energy: -0.107
local terms energy: -79.316365
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -224.106767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.106767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.106767 (E_RNA)
where:
Base-Base interactions energy: -144.021
where: short stacking energy: -74.001
Base-Backbone interact. energy: -1.053
local terms energy: -79.032115
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -19.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -204.551670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.551670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.551670 (E_RNA)
where:
Base-Base interactions energy: -127.885
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.073
local terms energy: -76.593245
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -20.465
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: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -211.054472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.054472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.054472 (E_RNA)
where:
Base-Base interactions energy: -139.012
where: short stacking energy: -71.961
Base-Backbone interact. energy: -0.000
local terms energy: -72.042570
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -208.191248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.191248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.191248 (E_RNA)
where:
Base-Base interactions energy: -139.681
where: short stacking energy: -64.759
Base-Backbone interact. energy: -1.002
local terms energy: -67.508266
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -17.205
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: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -173.104869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.104869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.104869 (E_RNA)
where:
Base-Base interactions energy: -113.986
where: short stacking energy: -47.908
Base-Backbone interact. energy: -0.130
local terms energy: -58.989278
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -101.116776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.116776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.116776 (E_RNA)
where:
Base-Base interactions energy: -47.702
where: short stacking energy: -41.956
Base-Backbone interact. energy: -0.836
local terms energy: -52.578900
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -89.878010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.878010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.878010 (E_RNA)
where:
Base-Base interactions energy: -38.676
where: short stacking energy: -33.312
Base-Backbone interact. energy: -0.274
local terms energy: -50.928530
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -92.246803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.246803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.246803 (E_RNA)
where:
Base-Base interactions energy: -35.052
where: short stacking energy: -33.400
Base-Backbone interact. energy: 1.944
local terms energy: -59.139045
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -82.645607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.645607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.645607 (E_RNA)
where:
Base-Base interactions energy: -32.509
where: short stacking energy: -30.068
Base-Backbone interact. energy: -0.705
local terms energy: -49.431682
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -9.584
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -240.729207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.729207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.729207 (E_RNA)
where:
Base-Base interactions energy: -160.603
where: short stacking energy: -70.634
Base-Backbone interact. energy: -0.178
local terms energy: -79.948234
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -218.016304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.016304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.016304 (E_RNA)
where:
Base-Base interactions energy: -137.414
where: short stacking energy: -66.629
Base-Backbone interact. energy: -0.004
local terms energy: -80.598046
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -18.050
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: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -197.710930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.710930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.710930 (E_RNA)
where:
Base-Base interactions energy: -126.858
where: short stacking energy: -56.863
Base-Backbone interact. energy: -0.506
local terms energy: -70.347149
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -13.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -208.438918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.438918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.438918 (E_RNA)
where:
Base-Base interactions energy: -136.411
where: short stacking energy: -72.192
Base-Backbone interact. energy: -0.415
local terms energy: -71.612736
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -196.944516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.944516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.944516 (E_RNA)
where:
Base-Base interactions energy: -129.470
where: short stacking energy: -67.588
Base-Backbone interact. energy: -0.020
local terms energy: -67.453862
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -6.479
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: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -161.741770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.741770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.741770 (E_RNA)
where:
Base-Base interactions energy: -103.166
where: short stacking energy: -47.551
Base-Backbone interact. energy: -0.427
local terms energy: -58.148970
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -5.623
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: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -109.516919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.516919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.516919 (E_RNA)
where:
Base-Base interactions energy: -55.196
where: short stacking energy: -34.344
Base-Backbone interact. energy: -0.183
local terms energy: -54.137740
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -98.739196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.739196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.739196 (E_RNA)
where:
Base-Base interactions energy: -41.546
where: short stacking energy: -33.784
Base-Backbone interact. energy: -0.041
local terms energy: -57.152953
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -92.864029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.864029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.864029 (E_RNA)
where:
Base-Base interactions energy: -41.212
where: short stacking energy: -39.298
Base-Backbone interact. energy: 0.593
local terms energy: -52.245436
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -6.172
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: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -105.541825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.541825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.541825 (E_RNA)
where:
Base-Base interactions energy: -57.735
where: short stacking energy: -41.365
Base-Backbone interact. energy: 0.127
local terms energy: -47.934522
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -223.869198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.869198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.869198 (E_RNA)
where:
Base-Base interactions energy: -141.441
where: short stacking energy: -71.013
Base-Backbone interact. energy: -0.110
local terms energy: -82.318382
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -237.017681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.017681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.017681 (E_RNA)
where:
Base-Base interactions energy: -158.050
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.738
local terms energy: -78.229511
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -204.478318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.478318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.478318 (E_RNA)
where:
Base-Base interactions energy: -130.579
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.937
local terms energy: -72.962062
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -182.808145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.808145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.808145 (E_RNA)
where:
Base-Base interactions energy: -119.936
where: short stacking energy: -56.063
Base-Backbone interact. energy: -0.019
local terms energy: -62.853357
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -185.727757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.727757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.727757 (E_RNA)
where:
Base-Base interactions energy: -111.246
where: short stacking energy: -51.212
Base-Backbone interact. energy: 0.904
local terms energy: -75.386595
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -14.361
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: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -178.555631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.555631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.555631 (E_RNA)
where:
Base-Base interactions energy: -108.088
where: short stacking energy: -49.612
Base-Backbone interact. energy: 0.128
local terms energy: -70.595859
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -17.089
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: 7, replica: 1
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -104.394253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.394253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.394253 (E_RNA)
where:
Base-Base interactions energy: -47.927
where: short stacking energy: -45.976
Base-Backbone interact. energy: -0.045
local terms energy: -56.422673
where:
bonds (distance) C4'-P energy: -8.488
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -96.427106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.427106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.427106 (E_RNA)
where:
Base-Base interactions energy: -42.931
where: short stacking energy: -28.305
Base-Backbone interact. energy: -0.191
local terms energy: -53.305093
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -6.714
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: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -89.326355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.326355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.326355 (E_RNA)
where:
Base-Base interactions energy: -30.976
where: short stacking energy: -30.976
Base-Backbone interact. energy: 0.465
local terms energy: -58.815780
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -82.464814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.464814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.464814 (E_RNA)
where:
Base-Base interactions energy: -41.176
where: short stacking energy: -28.015
Base-Backbone interact. energy: 0.950
local terms energy: -42.239022
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -233.800989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.800989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.800989 (E_RNA)
where:
Base-Base interactions energy: -158.156
where: short stacking energy: -67.467
Base-Backbone interact. energy: -0.511
local terms energy: -75.133628
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -240.412804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.412804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.412804 (E_RNA)
where:
Base-Base interactions energy: -165.083
where: short stacking energy: -68.505
Base-Backbone interact. energy: -0.200
local terms energy: -75.129717
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -225.080249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.080249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.080249 (E_RNA)
where:
Base-Base interactions energy: -152.021
where: short stacking energy: -59.134
Base-Backbone interact. energy: 0.301
local terms energy: -73.360081
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -195.718409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.718409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.718409 (E_RNA)
where:
Base-Base interactions energy: -131.625
where: short stacking energy: -56.231
Base-Backbone interact. energy: -0.168
local terms energy: -63.925651
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -188.510447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.510447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.510447 (E_RNA)
where:
Base-Base interactions energy: -127.073
where: short stacking energy: -57.449
Base-Backbone interact. energy: -0.134
local terms energy: -61.302971
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -8.178
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -16.097
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: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -181.895203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.895203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.895203 (E_RNA)
where:
Base-Base interactions energy: -108.798
where: short stacking energy: -60.074
Base-Backbone interact. energy: -0.002
local terms energy: -73.094426
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -16.829
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: 7, replica: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -105.285593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.285593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.285593 (E_RNA)
where:
Base-Base interactions energy: -48.572
where: short stacking energy: -40.681
Base-Backbone interact. energy: -0.651
local terms energy: -56.062150
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -100.627575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.627575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.627575 (E_RNA)
where:
Base-Base interactions energy: -45.981
where: short stacking energy: -37.622
Base-Backbone interact. energy: -0.078
local terms energy: -54.568868
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -6.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -88.802318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.802318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.802318 (E_RNA)
where:
Base-Base interactions energy: -31.260
where: short stacking energy: -31.260
Base-Backbone interact. energy: -0.425
local terms energy: -57.116691
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -91.553103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.553103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.553103 (E_RNA)
where:
Base-Base interactions energy: -36.985
where: short stacking energy: -30.782
Base-Backbone interact. energy: -0.637
local terms energy: -53.931212
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -240.770656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.770656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.770656 (E_RNA)
where:
Base-Base interactions energy: -159.915
where: short stacking energy: -68.834
Base-Backbone interact. energy: -0.169
local terms energy: -80.685845
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -227.907174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.907174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.907174 (E_RNA)
where:
Base-Base interactions energy: -147.602
where: short stacking energy: -66.712
Base-Backbone interact. energy: -0.426
local terms energy: -79.879094
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -217.471387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.471387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.471387 (E_RNA)
where:
Base-Base interactions energy: -143.341
where: short stacking energy: -60.273
Base-Backbone interact. energy: -0.209
local terms energy: -73.921256
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -208.766826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.766826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.766826 (E_RNA)
where:
Base-Base interactions energy: -137.429
where: short stacking energy: -51.810
Base-Backbone interact. energy: -0.225
local terms energy: -71.113070
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -182.126590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.126590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.126590 (E_RNA)
where:
Base-Base interactions energy: -112.627
where: short stacking energy: -60.924
Base-Backbone interact. energy: -1.358
local terms energy: -68.141522
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -179.219755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.219755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.219755 (E_RNA)
where:
Base-Base interactions energy: -121.673
where: short stacking energy: -46.471
Base-Backbone interact. energy: 0.070
local terms energy: -57.616906
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -105.504780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.504780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.504780 (E_RNA)
where:
Base-Base interactions energy: -51.824
where: short stacking energy: -51.014
Base-Backbone interact. energy: 0.196
local terms energy: -53.877471
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -100.643978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.643978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.643978 (E_RNA)
where:
Base-Base interactions energy: -41.076
where: short stacking energy: -32.261
Base-Backbone interact. energy: -0.255
local terms energy: -59.313371
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -11.078
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: 86
Temperature: 1.300000
Total energy: -87.307152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.307152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.307152 (E_RNA)
where:
Base-Base interactions energy: -37.554
where: short stacking energy: -27.266
Base-Backbone interact. energy: -0.254
local terms energy: -49.499371
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -83.540958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.540958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.540958 (E_RNA)
where:
Base-Base interactions energy: -33.276
where: short stacking energy: -27.821
Base-Backbone interact. energy: -0.441
local terms energy: -49.824469
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -9.577
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: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -240.783569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.783569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.783569 (E_RNA)
where:
Base-Base interactions energy: -166.955
where: short stacking energy: -64.255
Base-Backbone interact. energy: -0.149
local terms energy: -73.679938
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -224.530543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.530543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.530543 (E_RNA)
where:
Base-Base interactions energy: -146.135
where: short stacking energy: -66.844
Base-Backbone interact. energy: -0.220
local terms energy: -78.176054
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -19.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -203.571085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.571085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.571085 (E_RNA)
where:
Base-Base interactions energy: -134.077
where: short stacking energy: -51.054
Base-Backbone interact. energy: -0.731
local terms energy: -68.763577
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -8.184
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: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -191.841508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.841508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.841508 (E_RNA)
where:
Base-Base interactions energy: -120.503
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.021
local terms energy: -71.317772
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -11.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -196.675157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.675157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.675157 (E_RNA)
where:
Base-Base interactions energy: -130.064
where: short stacking energy: -57.456
Base-Backbone interact. energy: -0.866
local terms energy: -65.745679
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -165.024668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.024668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.024668 (E_RNA)
where:
Base-Base interactions energy: -108.654
where: short stacking energy: -49.527
Base-Backbone interact. energy: -0.424
local terms energy: -55.946471
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -6.949
flat angles P-C4'-P energy: -5.251
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: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -105.523293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.523293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.523293 (E_RNA)
where:
Base-Base interactions energy: -46.427
where: short stacking energy: -37.875
Base-Backbone interact. energy: 0.414
local terms energy: -59.510788
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -12.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -93.844369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.844369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.844369 (E_RNA)
where:
Base-Base interactions energy: -42.703
where: short stacking energy: -41.960
Base-Backbone interact. energy: 0.245
local terms energy: -51.386887
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -2.998
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -90.635917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.635917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.635917 (E_RNA)
where:
Base-Base interactions energy: -38.326
where: short stacking energy: -37.265
Base-Backbone interact. energy: -0.906
local terms energy: -51.403514
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: 0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -78.072160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.072160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.072160 (E_RNA)
where:
Base-Base interactions energy: -29.529
where: short stacking energy: -28.947
Base-Backbone interact. energy: -0.645
local terms energy: -47.897980
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -7.800
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -2.898
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: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -242.808716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.808716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.808716 (E_RNA)
where:
Base-Base interactions energy: -167.283
where: short stacking energy: -70.116
Base-Backbone interact. energy: -0.317
local terms energy: -75.208389
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -11.415
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: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -214.732527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.732527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.732527 (E_RNA)
where:
Base-Base interactions energy: -145.525
where: short stacking energy: -75.296
Base-Backbone interact. energy: -0.003
local terms energy: -69.205029
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -207.222223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.222223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.222223 (E_RNA)
where:
Base-Base interactions energy: -139.227
where: short stacking energy: -59.416
Base-Backbone interact. energy: 0.645
local terms energy: -68.640453
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -11.759
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: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -187.228852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.228852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.228852 (E_RNA)
where:
Base-Base interactions energy: -118.449
where: short stacking energy: -55.281
Base-Backbone interact. energy: -0.381
local terms energy: -68.398729
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -11.881
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: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -185.952616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.952616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.952616 (E_RNA)
where:
Base-Base interactions energy: -121.678
where: short stacking energy: -53.907
Base-Backbone interact. energy: -0.104
local terms energy: -64.170489
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -16.251
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: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -189.903253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.903253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.903253 (E_RNA)
where:
Base-Base interactions energy: -118.531
where: short stacking energy: -52.481
Base-Backbone interact. energy: -0.310
local terms energy: -71.062407
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -11.195
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: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -110.653404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.653404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.653404 (E_RNA)
where:
Base-Base interactions energy: -55.673
where: short stacking energy: -43.844
Base-Backbone interact. energy: -0.880
local terms energy: -54.100671
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -109.547291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.547291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.547291 (E_RNA)
where:
Base-Base interactions energy: -57.098
where: short stacking energy: -37.809
Base-Backbone interact. energy: -0.032
local terms energy: -52.417034
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -89.005538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.005538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.005538 (E_RNA)
where:
Base-Base interactions energy: -35.086
where: short stacking energy: -28.596
Base-Backbone interact. energy: -0.826
local terms energy: -53.093685
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -3.113
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: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -90.478007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.478007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.478007 (E_RNA)
where:
Base-Base interactions energy: -35.906
where: short stacking energy: -31.339
Base-Backbone interact. energy: -2.736
local terms energy: -51.836684
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -1.380
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: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -244.290397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.290397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.290397 (E_RNA)
where:
Base-Base interactions energy: -166.085
where: short stacking energy: -69.841
Base-Backbone interact. energy: -0.095
local terms energy: -78.110625
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -226.666678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.666678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.666678 (E_RNA)
where:
Base-Base interactions energy: -143.858
where: short stacking energy: -71.631
Base-Backbone interact. energy: -0.757
local terms energy: -82.052062
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -228.394704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.394704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.394704 (E_RNA)
where:
Base-Base interactions energy: -151.350
where: short stacking energy: -67.712
Base-Backbone interact. energy: -0.310
local terms energy: -76.734269
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -201.193735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.193735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.193735 (E_RNA)
where:
Base-Base interactions energy: -135.308
where: short stacking energy: -71.488
Base-Backbone interact. energy: -0.389
local terms energy: -65.496133
where:
bonds (distance) C4'-P energy: -8.956
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -21.926
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: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -173.654674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.654674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.654674 (E_RNA)
where:
Base-Base interactions energy: -106.574
where: short stacking energy: -51.896
Base-Backbone interact. energy: -0.593
local terms energy: -66.487419
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -12.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -178.268934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.268934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.268934 (E_RNA)
where:
Base-Base interactions energy: -111.183
where: short stacking energy: -46.929
Base-Backbone interact. energy: -0.565
local terms energy: -66.520999
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -9.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -101.646963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.646963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.646963 (E_RNA)
where:
Base-Base interactions energy: -43.694
where: short stacking energy: -43.694
Base-Backbone interact. energy: -0.151
local terms energy: -57.801501
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -11.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -97.011912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.011912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.011912 (E_RNA)
where:
Base-Base interactions energy: -46.181
where: short stacking energy: -42.833
Base-Backbone interact. energy: -0.019
local terms energy: -50.811501
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -7.731
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: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -106.283456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.283456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.283456 (E_RNA)
where:
Base-Base interactions energy: -63.363
where: short stacking energy: -42.723
Base-Backbone interact. energy: 0.270
local terms energy: -43.189624
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: 0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -93.946574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.946574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.946574 (E_RNA)
where:
Base-Base interactions energy: -40.022
where: short stacking energy: -34.725
Base-Backbone interact. energy: -0.692
local terms energy: -53.232748
where:
bonds (distance) C4'-P energy: -8.020
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -239.545781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.545781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.545781 (E_RNA)
where:
Base-Base interactions energy: -158.601
where: short stacking energy: -69.417
Base-Backbone interact. energy: -0.038
local terms energy: -80.907058
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -19.867
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: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -230.812972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.812972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.812972 (E_RNA)
where:
Base-Base interactions energy: -152.749
where: short stacking energy: -80.253
Base-Backbone interact. energy: -0.176
local terms energy: -77.887349
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -20.732
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: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -215.026419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.026419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.026419 (E_RNA)
where:
Base-Base interactions energy: -144.366
where: short stacking energy: -68.229
Base-Backbone interact. energy: -0.105
local terms energy: -70.555267
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -13.463
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: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -211.763642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.763642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.763642 (E_RNA)
where:
Base-Base interactions energy: -139.649
where: short stacking energy: -60.477
Base-Backbone interact. energy: -0.055
local terms energy: -72.059409
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -10.635
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: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -185.571935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.571935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.571935 (E_RNA)
where:
Base-Base interactions energy: -110.249
where: short stacking energy: -55.254
Base-Backbone interact. energy: -0.192
local terms energy: -75.130124
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -13.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -194.182445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.182445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.182445 (E_RNA)
where:
Base-Base interactions energy: -120.540
where: short stacking energy: -58.631
Base-Backbone interact. energy: -0.916
local terms energy: -72.726394
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -18.807
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: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -97.964930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.964930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.964930 (E_RNA)
where:
Base-Base interactions energy: -42.366
where: short stacking energy: -42.366
Base-Backbone interact. energy: -0.044
local terms energy: -55.555548
where:
bonds (distance) C4'-P energy: -7.391
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -9.099
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: 8, replica: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -88.487274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.487274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.487274 (E_RNA)
where:
Base-Base interactions energy: -34.237
where: short stacking energy: -31.081
Base-Backbone interact. energy: -0.189
local terms energy: -54.061104
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -3.118
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: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -91.633975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.633975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.633975 (E_RNA)
where:
Base-Base interactions energy: -41.479
where: short stacking energy: -34.289
Base-Backbone interact. energy: -0.292
local terms energy: -49.862872
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -86.105671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.105671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.105671 (E_RNA)
where:
Base-Base interactions energy: -43.998
where: short stacking energy: -43.761
Base-Backbone interact. energy: -0.001
local terms energy: -42.106737
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -8.854
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -241.839324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.839324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.839324 (E_RNA)
where:
Base-Base interactions energy: -163.872
where: short stacking energy: -65.405
Base-Backbone interact. energy: -0.164
local terms energy: -77.803620
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -20.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -225.476448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.476448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.476448 (E_RNA)
where:
Base-Base interactions energy: -141.643
where: short stacking energy: -74.163
Base-Backbone interact. energy: -0.000
local terms energy: -83.832697
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -13.997
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: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -212.860094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.860094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.860094 (E_RNA)
where:
Base-Base interactions energy: -136.757
where: short stacking energy: -69.576
Base-Backbone interact. energy: -0.099
local terms energy: -76.003787
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -22.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -215.371459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.371459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.371459 (E_RNA)
where:
Base-Base interactions energy: -142.671
where: short stacking energy: -65.191
Base-Backbone interact. energy: -0.132
local terms energy: -72.569151
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -169.027912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.027912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.027912 (E_RNA)
where:
Base-Base interactions energy: -107.710
where: short stacking energy: -47.995
Base-Backbone interact. energy: -0.271
local terms energy: -61.046151
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -161.465245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.465245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.465245 (E_RNA)
where:
Base-Base interactions energy: -96.925
where: short stacking energy: -45.016
Base-Backbone interact. energy: 0.099
local terms energy: -64.638520
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -124.550404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.550404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.550404 (E_RNA)
where:
Base-Base interactions energy: -61.869
where: short stacking energy: -37.006
Base-Backbone interact. energy: -0.632
local terms energy: -62.048882
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -106.451735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.451735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.451735 (E_RNA)
where:
Base-Base interactions energy: -48.931
where: short stacking energy: -46.163
Base-Backbone interact. energy: -0.003
local terms energy: -57.518194
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -6.526
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: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -92.089771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.089771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.089771 (E_RNA)
where:
Base-Base interactions energy: -35.743
where: short stacking energy: -35.076
Base-Backbone interact. energy: -0.430
local terms energy: -55.916972
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -84.598386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.598386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.598386 (E_RNA)
where:
Base-Base interactions energy: -32.032
where: short stacking energy: -27.733
Base-Backbone interact. energy: -1.305
local terms energy: -51.261035
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -242.449668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.449668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.449668 (E_RNA)
where:
Base-Base interactions energy: -158.568
where: short stacking energy: -62.358
Base-Backbone interact. energy: -0.234
local terms energy: -83.648020
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -15.680
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: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -213.373052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.373052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.373052 (E_RNA)
where:
Base-Base interactions energy: -136.340
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.004
local terms energy: -77.029188
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -216.230059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.230059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.230059 (E_RNA)
where:
Base-Base interactions energy: -144.652
where: short stacking energy: -68.767
Base-Backbone interact. energy: -2.059
local terms energy: -69.519380
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -207.748176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.748176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.748176 (E_RNA)
where:
Base-Base interactions energy: -127.360
where: short stacking energy: -49.576
Base-Backbone interact. energy: -0.085
local terms energy: -80.302986
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -200.002039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.002039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.002039 (E_RNA)
where:
Base-Base interactions energy: -132.840
where: short stacking energy: -57.781
Base-Backbone interact. energy: -0.402
local terms energy: -66.759525
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -157.909719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.909719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.909719 (E_RNA)
where:
Base-Base interactions energy: -90.676
where: short stacking energy: -55.180
Base-Backbone interact. energy: 0.303
local terms energy: -67.536264
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -9.734
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: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -138.114591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.114591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.114591 (E_RNA)
where:
Base-Base interactions energy: -77.518
where: short stacking energy: -37.047
Base-Backbone interact. energy: -0.600
local terms energy: -59.996079
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -6.439
flat angles C4'-P-C4' energy: -8.022
flat angles P-C4'-P energy: -14.295
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: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -95.494115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.494115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.494115 (E_RNA)
where:
Base-Base interactions energy: -36.015
where: short stacking energy: -36.015
Base-Backbone interact. energy: 0.803
local terms energy: -60.282366
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -8.672
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: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -89.997664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.997664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.997664 (E_RNA)
where:
Base-Base interactions energy: -38.430
where: short stacking energy: -28.003
Base-Backbone interact. energy: -0.200
local terms energy: -51.366956
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: 0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -80.837328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.837328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.837328 (E_RNA)
where:
Base-Base interactions energy: -22.380
where: short stacking energy: -22.380
Base-Backbone interact. energy: -0.302
local terms energy: -58.155331
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -245.060982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.060982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.060982 (E_RNA)
where:
Base-Base interactions energy: -163.596
where: short stacking energy: -75.777
Base-Backbone interact. energy: -0.143
local terms energy: -81.321828
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -215.781874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.781874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.781874 (E_RNA)
where:
Base-Base interactions energy: -138.369
where: short stacking energy: -65.851
Base-Backbone interact. energy: -0.032
local terms energy: -77.380790
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -17.867
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: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -204.244201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.244201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.244201 (E_RNA)
where:
Base-Base interactions energy: -132.271
where: short stacking energy: -64.430
Base-Backbone interact. energy: -0.534
local terms energy: -71.439214
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -173.589402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.589402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.589402 (E_RNA)
where:
Base-Base interactions energy: -100.187
where: short stacking energy: -55.916
Base-Backbone interact. energy: -0.104
local terms energy: -73.298577
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -189.605350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.605350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.605350 (E_RNA)
where:
Base-Base interactions energy: -126.710
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.594
local terms energy: -62.300841
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -9.308
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: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -139.160610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.160610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.160610 (E_RNA)
where:
Base-Base interactions energy: -80.052
where: short stacking energy: -36.649
Base-Backbone interact. energy: -1.211
local terms energy: -57.897337
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -7.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -171.684009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.684009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.684009 (E_RNA)
where:
Base-Base interactions energy: -98.219
where: short stacking energy: -48.677
Base-Backbone interact. energy: -0.066
local terms energy: -73.398631
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -14.673
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: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -94.572440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.572440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.572440 (E_RNA)
where:
Base-Base interactions energy: -37.619
where: short stacking energy: -35.571
Base-Backbone interact. energy: -0.196
local terms energy: -56.757852
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -93.599547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.599547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.599547 (E_RNA)
where:
Base-Base interactions energy: -41.406
where: short stacking energy: -36.324
Base-Backbone interact. energy: -0.258
local terms energy: -51.935906
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -5.538
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: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -86.023106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.023106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.023106 (E_RNA)
where:
Base-Base interactions energy: -31.096
where: short stacking energy: -20.509
Base-Backbone interact. energy: -0.040
local terms energy: -54.887211
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -226.102247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.102247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.102247 (E_RNA)
where:
Base-Base interactions energy: -153.704
where: short stacking energy: -75.010
Base-Backbone interact. energy: -0.039
local terms energy: -72.359868
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -237.033417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.033417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.033417 (E_RNA)
where:
Base-Base interactions energy: -168.146
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.263
local terms energy: -68.624770
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -3.383
tors. eta vs tors. theta energy: -18.405
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: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -207.410728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.410728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.410728 (E_RNA)
where:
Base-Base interactions energy: -135.673
where: short stacking energy: -64.512
Base-Backbone interact. energy: -0.926
local terms energy: -70.811625
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -19.529
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: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -189.486095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.486095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.486095 (E_RNA)
where:
Base-Base interactions energy: -115.075
where: short stacking energy: -48.672
Base-Backbone interact. energy: -0.502
local terms energy: -73.909765
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.647
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: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -177.020895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.020895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.020895 (E_RNA)
where:
Base-Base interactions energy: -113.920
where: short stacking energy: -68.672
Base-Backbone interact. energy: -0.000
local terms energy: -63.100903
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -8.246
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -116.669478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.669478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.669478 (E_RNA)
where:
Base-Base interactions energy: -59.076
where: short stacking energy: -40.932
Base-Backbone interact. energy: -0.259
local terms energy: -57.334932
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -10.214
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: 94
Temperature: 1.200000
Total energy: -171.352203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.352203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.352203 (E_RNA)
where:
Base-Base interactions energy: -110.497
where: short stacking energy: -55.701
Base-Backbone interact. energy: -1.035
local terms energy: -59.820318
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -9.802
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: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -91.564333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.564333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.564333 (E_RNA)
where:
Base-Base interactions energy: -32.615
where: short stacking energy: -31.491
Base-Backbone interact. energy: -0.052
local terms energy: -58.897308
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -87.277331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.277331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.277331 (E_RNA)
where:
Base-Base interactions energy: -37.384
where: short stacking energy: -36.615
Base-Backbone interact. energy: -0.128
local terms energy: -49.765795
where:
bonds (distance) C4'-P energy: -6.253
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -90.844829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.844829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.844829 (E_RNA)
where:
Base-Base interactions energy: -50.228
where: short stacking energy: -33.682
Base-Backbone interact. energy: -0.191
local terms energy: -40.426504
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -2.557
tors. eta vs tors. theta energy: 0.342
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: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -229.509267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.509267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.509267 (E_RNA)
where:
Base-Base interactions energy: -151.607
where: short stacking energy: -68.293
Base-Backbone interact. energy: -0.030
local terms energy: -77.872091
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -234.365834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.365834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.365834 (E_RNA)
where:
Base-Base interactions energy: -153.907
where: short stacking energy: -69.832
Base-Backbone interact. energy: -0.704
local terms energy: -79.755150
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -17.013
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: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -201.846568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.846568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.846568 (E_RNA)
where:
Base-Base interactions energy: -132.162
where: short stacking energy: -65.290
Base-Backbone interact. energy: -0.152
local terms energy: -69.532292
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -209.514850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.514850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.514850 (E_RNA)
where:
Base-Base interactions energy: -145.606
where: short stacking energy: -66.159
Base-Backbone interact. energy: -0.577
local terms energy: -63.332470
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -7.493
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -215.275531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.275531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.275531 (E_RNA)
where:
Base-Base interactions energy: -143.696
where: short stacking energy: -60.314
Base-Backbone interact. energy: -0.849
local terms energy: -70.730732
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -172.050153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.050153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.050153 (E_RNA)
where:
Base-Base interactions energy: -105.213
where: short stacking energy: -54.753
Base-Backbone interact. energy: -0.232
local terms energy: -66.605638
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -13.617
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: 95
Temperature: 1.200000
Total energy: -93.286040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.286040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.286040 (E_RNA)
where:
Base-Base interactions energy: -41.494
where: short stacking energy: -23.908
Base-Backbone interact. energy: -0.562
local terms energy: -51.230182
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -10.080
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: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -86.631554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.631554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.631554 (E_RNA)
where:
Base-Base interactions energy: -40.019
where: short stacking energy: -23.815
Base-Backbone interact. energy: 0.138
local terms energy: -46.749647
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: 2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -82.054305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.054305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.054305 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -26.103
Base-Backbone interact. energy: -0.073
local terms energy: -47.741291
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: 3.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -89.283608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.283608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.283608 (E_RNA)
where:
Base-Base interactions energy: -40.138
where: short stacking energy: -39.904
Base-Backbone interact. energy: -0.104
local terms energy: -49.041802
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -6.247
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: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -239.111733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.111733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.111733 (E_RNA)
where:
Base-Base interactions energy: -163.594
where: short stacking energy: -66.348
Base-Backbone interact. energy: -0.234
local terms energy: -75.283523
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -11.806
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: 2, replica: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -230.322253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.322253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.322253 (E_RNA)
where:
Base-Base interactions energy: -151.711
where: short stacking energy: -74.478
Base-Backbone interact. energy: 1.131
local terms energy: -79.742518
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -11.241
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: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -222.837772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.837772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.837772 (E_RNA)
where:
Base-Base interactions energy: -142.405
where: short stacking energy: -63.641
Base-Backbone interact. energy: -0.705
local terms energy: -79.727131
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -196.311227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.311227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.311227 (E_RNA)
where:
Base-Base interactions energy: -126.588
where: short stacking energy: -69.282
Base-Backbone interact. energy: -0.091
local terms energy: -69.631841
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -14.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -201.341960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.341960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.341960 (E_RNA)
where:
Base-Base interactions energy: -125.097
where: short stacking energy: -61.948
Base-Backbone interact. energy: -0.260
local terms energy: -75.985130
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -12.181
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: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -155.584930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.584930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.584930 (E_RNA)
where:
Base-Base interactions energy: -97.056
where: short stacking energy: -64.063
Base-Backbone interact. energy: -0.471
local terms energy: -58.058127
where:
bonds (distance) C4'-P energy: -7.039
bonds (distance) P-C4' energy: -6.863
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -9.768
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: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -148.760389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.760389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.760389 (E_RNA)
where:
Base-Base interactions energy: -87.388
where: short stacking energy: -39.943
Base-Backbone interact. energy: -0.602
local terms energy: -60.770230
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -91.330411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.330411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.330411 (E_RNA)
where:
Base-Base interactions energy: -44.026
where: short stacking energy: -32.190
Base-Backbone interact. energy: -0.978
local terms energy: -46.326102
where:
bonds (distance) C4'-P energy: -6.148
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -6.270
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: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -82.779021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.779021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.779021 (E_RNA)
where:
Base-Base interactions energy: -32.285
where: short stacking energy: -32.285
Base-Backbone interact. energy: -0.103
local terms energy: -50.390768
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -7.247
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: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -83.406367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.406367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.406367 (E_RNA)
where:
Base-Base interactions energy: -32.288
where: short stacking energy: -29.818
Base-Backbone interact. energy: -0.636
local terms energy: -50.482636
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -234.398432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.398432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.398432 (E_RNA)
where:
Base-Base interactions energy: -162.258
where: short stacking energy: -65.398
Base-Backbone interact. energy: -0.160
local terms energy: -71.980783
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -16.343
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: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -229.051954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.051954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.051954 (E_RNA)
where:
Base-Base interactions energy: -154.707
where: short stacking energy: -65.696
Base-Backbone interact. energy: -0.092
local terms energy: -74.253925
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -17.165
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: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -229.771237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.771237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.771237 (E_RNA)
where:
Base-Base interactions energy: -150.110
where: short stacking energy: -73.864
Base-Backbone interact. energy: -0.002
local terms energy: -79.658559
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -20.155
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: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -187.272807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.272807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.272807 (E_RNA)
where:
Base-Base interactions energy: -116.118
where: short stacking energy: -59.006
Base-Backbone interact. energy: -0.645
local terms energy: -70.509258
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -16.075
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: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -188.231719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.231719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.231719 (E_RNA)
where:
Base-Base interactions energy: -119.214
where: short stacking energy: -63.794
Base-Backbone interact. energy: -0.100
local terms energy: -68.917392
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -19.560
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: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -149.637013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.637013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.637013 (E_RNA)
where:
Base-Base interactions energy: -79.431
where: short stacking energy: -41.846
Base-Backbone interact. energy: -2.357
local terms energy: -67.849482
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -149.887280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.887280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.887280 (E_RNA)
where:
Base-Base interactions energy: -96.040
where: short stacking energy: -58.538
Base-Backbone interact. energy: -0.052
local terms energy: -53.795552
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -9.923
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -12.866
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: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -89.234851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.234851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.234851 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -32.342
Base-Backbone interact. energy: -0.160
local terms energy: -52.836248
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -87.494176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.494176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.494176 (E_RNA)
where:
Base-Base interactions energy: -40.714
where: short stacking energy: -34.566
Base-Backbone interact. energy: -0.115
local terms energy: -46.665271
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -8.294
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -84.187673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.187673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.187673 (E_RNA)
where:
Base-Base interactions energy: -35.361
where: short stacking energy: -20.211
Base-Backbone interact. energy: -0.370
local terms energy: -48.457152
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -8.216
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: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -234.393686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.393686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.393686 (E_RNA)
where:
Base-Base interactions energy: -160.575
where: short stacking energy: -66.037
Base-Backbone interact. energy: -0.480
local terms energy: -73.338969
where:
bonds (distance) C4'-P energy: -5.862
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -19.009
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: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -236.930978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.930978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.930978 (E_RNA)
where:
Base-Base interactions energy: -161.679
where: short stacking energy: -69.239
Base-Backbone interact. energy: -0.500
local terms energy: -74.751937
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -210.658754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.658754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.658754 (E_RNA)
where:
Base-Base interactions energy: -135.384
where: short stacking energy: -71.680
Base-Backbone interact. energy: -1.406
local terms energy: -73.868138
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -17.448
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: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -224.014146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.014146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.014146 (E_RNA)
where:
Base-Base interactions energy: -147.937
where: short stacking energy: -75.968
Base-Backbone interact. energy: 0.265
local terms energy: -76.342229
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -168.253619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.253619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.253619 (E_RNA)
where:
Base-Base interactions energy: -102.421
where: short stacking energy: -40.790
Base-Backbone interact. energy: -1.277
local terms energy: -64.554861
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -170.592971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.592971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.592971 (E_RNA)
where:
Base-Base interactions energy: -95.009
where: short stacking energy: -56.691
Base-Backbone interact. energy: -0.869
local terms energy: -74.714847
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -151.307721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.307721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.307721 (E_RNA)
where:
Base-Base interactions energy: -88.424
where: short stacking energy: -37.912
Base-Backbone interact. energy: -0.898
local terms energy: -61.985630
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -100.333720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.333720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.333720 (E_RNA)
where:
Base-Base interactions energy: -50.078
where: short stacking energy: -35.535
Base-Backbone interact. energy: -0.168
local terms energy: -50.087743
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: 0.077
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: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -78.772657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.772657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.772657 (E_RNA)
where:
Base-Base interactions energy: -25.229
where: short stacking energy: -22.149
Base-Backbone interact. energy: -1.314
local terms energy: -52.229687
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -82.536786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.536786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.536786 (E_RNA)
where:
Base-Base interactions energy: -33.232
where: short stacking energy: -33.232
Base-Backbone interact. energy: 0.676
local terms energy: -49.980498
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -9.005
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -6.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -222.008042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.008042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.008042 (E_RNA)
where:
Base-Base interactions energy: -140.320
where: short stacking energy: -73.587
Base-Backbone interact. energy: -1.276
local terms energy: -80.411579
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -22.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -211.787093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.787093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.787093 (E_RNA)
where:
Base-Base interactions energy: -132.676
where: short stacking energy: -74.935
Base-Backbone interact. energy: -1.283
local terms energy: -77.828473
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -20.866
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: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -224.895074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.895074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.895074 (E_RNA)
where:
Base-Base interactions energy: -147.923
where: short stacking energy: -75.176
Base-Backbone interact. energy: -0.294
local terms energy: -76.678709
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -10.758
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: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -224.714836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.714836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.714836 (E_RNA)
where:
Base-Base interactions energy: -152.973
where: short stacking energy: -77.266
Base-Backbone interact. energy: -0.002
local terms energy: -71.739862
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -161.799415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.799415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.799415 (E_RNA)
where:
Base-Base interactions energy: -96.419
where: short stacking energy: -48.267
Base-Backbone interact. energy: -0.722
local terms energy: -64.658397
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -6.402
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: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -164.934463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.934463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.934463 (E_RNA)
where:
Base-Base interactions energy: -102.353
where: short stacking energy: -40.939
Base-Backbone interact. energy: -0.904
local terms energy: -61.677413
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -164.177658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.177658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.177658 (E_RNA)
where:
Base-Base interactions energy: -102.061
where: short stacking energy: -48.288
Base-Backbone interact. energy: -0.002
local terms energy: -62.115165
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -9.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -84.023585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.023585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.023585 (E_RNA)
where:
Base-Base interactions energy: -26.779
where: short stacking energy: -25.401
Base-Backbone interact. energy: -0.358
local terms energy: -56.887063
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -79.571352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.571352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.571352 (E_RNA)
where:
Base-Base interactions energy: -34.629
where: short stacking energy: -24.849
Base-Backbone interact. energy: -0.413
local terms energy: -44.529306
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: 1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -83.875112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.875112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.875112 (E_RNA)
where:
Base-Base interactions energy: -29.795
where: short stacking energy: -29.795
Base-Backbone interact. energy: -0.054
local terms energy: -54.026126
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -232.928526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.928526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.928526 (E_RNA)
where:
Base-Base interactions energy: -155.951
where: short stacking energy: -65.534
Base-Backbone interact. energy: -0.796
local terms energy: -76.181956
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -16.131
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: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -214.318555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.318555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.318555 (E_RNA)
where:
Base-Base interactions energy: -141.854
where: short stacking energy: -60.904
Base-Backbone interact. energy: -0.129
local terms energy: -72.336147
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -218.091944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.091944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.091944 (E_RNA)
where:
Base-Base interactions energy: -145.321
where: short stacking energy: -66.603
Base-Backbone interact. energy: -0.046
local terms energy: -72.724520
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -199.712758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.712758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.712758 (E_RNA)
where:
Base-Base interactions energy: -126.390
where: short stacking energy: -59.862
Base-Backbone interact. energy: -0.407
local terms energy: -72.915692
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -13.025
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: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -169.976935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.976935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.976935 (E_RNA)
where:
Base-Base interactions energy: -101.183
where: short stacking energy: -47.857
Base-Backbone interact. energy: -0.525
local terms energy: -68.269349
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -155.499401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.499401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.499401 (E_RNA)
where:
Base-Base interactions energy: -90.186
where: short stacking energy: -50.356
Base-Backbone interact. energy: -1.090
local terms energy: -64.223460
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -9.496
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: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -151.006466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.006466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.006466 (E_RNA)
where:
Base-Base interactions energy: -95.153
where: short stacking energy: -43.591
Base-Backbone interact. energy: 0.758
local terms energy: -56.611410
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -103.825375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.825375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.825375 (E_RNA)
where:
Base-Base interactions energy: -40.946
where: short stacking energy: -26.749
Base-Backbone interact. energy: -0.145
local terms energy: -62.734559
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -101.337362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.337362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.337362 (E_RNA)
where:
Base-Base interactions energy: -59.522
where: short stacking energy: -29.713
Base-Backbone interact. energy: -0.291
local terms energy: -41.523642
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -6.226
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: 0.279
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: 100
Temperature: 1.350000
Total energy: -81.800153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.800153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.800153 (E_RNA)
where:
Base-Base interactions energy: -31.648
where: short stacking energy: -26.458
Base-Backbone interact. energy: -0.784
local terms energy: -49.367849
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -243.228703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.228703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.228703 (E_RNA)
where:
Base-Base interactions energy: -161.387
where: short stacking energy: -68.533
Base-Backbone interact. energy: -0.598
local terms energy: -81.244545
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -14.087
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: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -228.243533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.243533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.243533 (E_RNA)
where:
Base-Base interactions energy: -157.950
where: short stacking energy: -69.082
Base-Backbone interact. energy: -0.983
local terms energy: -69.310348
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -9.396
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: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -196.888988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.888988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.888988 (E_RNA)
where:
Base-Base interactions energy: -126.897
where: short stacking energy: -57.188
Base-Backbone interact. energy: -0.053
local terms energy: -69.938260
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -11.516
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: 101
Temperature: 1.050000
Total energy: -197.388711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.388711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.388711 (E_RNA)
where:
Base-Base interactions energy: -121.640
where: short stacking energy: -61.693
Base-Backbone interact. energy: -0.636
local terms energy: -75.112230
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -11.497
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: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -161.329185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.329185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.329185 (E_RNA)
where:
Base-Base interactions energy: -94.532
where: short stacking energy: -53.207
Base-Backbone interact. energy: -0.582
local terms energy: -66.215536
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -176.234784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.234784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.234784 (E_RNA)
where:
Base-Base interactions energy: -109.329
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.972
local terms energy: -65.934211
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -145.634871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.634871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.634871 (E_RNA)
where:
Base-Base interactions energy: -82.067
where: short stacking energy: -38.216
Base-Backbone interact. energy: 0.598
local terms energy: -64.165152
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -9.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -148.876336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.876336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.876336 (E_RNA)
where:
Base-Base interactions energy: -91.357
where: short stacking energy: -44.251
Base-Backbone interact. energy: -0.099
local terms energy: -57.420411
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -2.791
tors. eta vs tors. theta energy: -12.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -92.190648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.190648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.190648 (E_RNA)
where:
Base-Base interactions energy: -39.529
where: short stacking energy: -38.806
Base-Backbone interact. energy: -0.063
local terms energy: -52.598222
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -94.141881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.141881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.141881 (E_RNA)
where:
Base-Base interactions energy: -39.446
where: short stacking energy: -19.465
Base-Backbone interact. energy: 0.745
local terms energy: -55.440049
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -232.008629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.008629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.008629 (E_RNA)
where:
Base-Base interactions energy: -159.429
where: short stacking energy: -55.087
Base-Backbone interact. energy: -0.314
local terms energy: -72.266124
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -234.473895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.473895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.473895 (E_RNA)
where:
Base-Base interactions energy: -157.392
where: short stacking energy: -67.555
Base-Backbone interact. energy: -0.483
local terms energy: -76.599332
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -221.264746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.264746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.264746 (E_RNA)
where:
Base-Base interactions energy: -141.268
where: short stacking energy: -78.200
Base-Backbone interact. energy: -0.005
local terms energy: -79.991963
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.380
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: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -188.361084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.361084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.361084 (E_RNA)
where:
Base-Base interactions energy: -122.514
where: short stacking energy: -54.508
Base-Backbone interact. energy: -0.082
local terms energy: -65.764737
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -172.043997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.043997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.043997 (E_RNA)
where:
Base-Base interactions energy: -109.147
where: short stacking energy: -49.964
Base-Backbone interact. energy: -0.913
local terms energy: -61.984401
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -9.479
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -8.482
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: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -175.661311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.661311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.661311 (E_RNA)
where:
Base-Base interactions energy: -109.120
where: short stacking energy: -61.808
Base-Backbone interact. energy: -0.753
local terms energy: -65.787986
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -129.129816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.129816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.129816 (E_RNA)
where:
Base-Base interactions energy: -72.356
where: short stacking energy: -44.686
Base-Backbone interact. energy: -0.114
local terms energy: -56.659599
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -139.999522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.999522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.999522 (E_RNA)
where:
Base-Base interactions energy: -86.884
where: short stacking energy: -37.513
Base-Backbone interact. energy: -0.193
local terms energy: -52.922513
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -7.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -87.524349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.524349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.524349 (E_RNA)
where:
Base-Base interactions energy: -36.549
where: short stacking energy: -34.133
Base-Backbone interact. energy: -0.081
local terms energy: -50.894121
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -79.572986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.572986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.572986 (E_RNA)
where:
Base-Base interactions energy: -26.410
where: short stacking energy: -26.410
Base-Backbone interact. energy: -0.410
local terms energy: -52.752392
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -11.334
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: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -230.310055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.310055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.310055 (E_RNA)
where:
Base-Base interactions energy: -155.850
where: short stacking energy: -56.664
Base-Backbone interact. energy: -0.722
local terms energy: -73.737940
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -8.852
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: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -253.750230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.750230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.750230 (E_RNA)
where:
Base-Base interactions energy: -171.207
where: short stacking energy: -70.137
Base-Backbone interact. energy: -0.778
local terms energy: -81.765758
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -202.065779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.065779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.065779 (E_RNA)
where:
Base-Base interactions energy: -125.401
where: short stacking energy: -59.349
Base-Backbone interact. energy: -0.266
local terms energy: -76.399124
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -199.498956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.498956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.498956 (E_RNA)
where:
Base-Base interactions energy: -126.790
where: short stacking energy: -57.956
Base-Backbone interact. energy: -0.182
local terms energy: -72.526572
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -11.224
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: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -200.185202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.185202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.185202 (E_RNA)
where:
Base-Base interactions energy: -134.192
where: short stacking energy: -54.493
Base-Backbone interact. energy: -1.046
local terms energy: -64.947695
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -165.289946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.289946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.289946 (E_RNA)
where:
Base-Base interactions energy: -106.892
where: short stacking energy: -55.069
Base-Backbone interact. energy: -0.026
local terms energy: -58.372221
where:
bonds (distance) C4'-P energy: -6.048
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -9.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -102.926236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.926236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.926236 (E_RNA)
where:
Base-Base interactions energy: -46.256
where: short stacking energy: -39.577
Base-Backbone interact. energy: 0.639
local terms energy: -57.309186
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -146.846470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.846470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.846470 (E_RNA)
where:
Base-Base interactions energy: -85.126
where: short stacking energy: -42.630
Base-Backbone interact. energy: -0.466
local terms energy: -61.254731
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -88.768481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.768481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.768481 (E_RNA)
where:
Base-Base interactions energy: -27.829
where: short stacking energy: -23.560
Base-Backbone interact. energy: -1.647
local terms energy: -59.292988
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -82.265149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.265149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.265149 (E_RNA)
where:
Base-Base interactions energy: -32.927
where: short stacking energy: -32.927
Base-Backbone interact. energy: -0.073
local terms energy: -49.264763
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -250.169611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.169611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.169611 (E_RNA)
where:
Base-Base interactions energy: -166.633
where: short stacking energy: -67.033
Base-Backbone interact. energy: -0.387
local terms energy: -83.149182
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -20.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -221.965280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.965280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.965280 (E_RNA)
where:
Base-Base interactions energy: -146.046
where: short stacking energy: -54.233
Base-Backbone interact. energy: -1.239
local terms energy: -74.679746
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -210.359744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.359744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.359744 (E_RNA)
where:
Base-Base interactions energy: -142.050
where: short stacking energy: -68.078
Base-Backbone interact. energy: 0.623
local terms energy: -68.933459
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -13.696
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: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -210.487287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.487287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.487287 (E_RNA)
where:
Base-Base interactions energy: -137.429
where: short stacking energy: -71.282
Base-Backbone interact. energy: -0.002
local terms energy: -73.055478
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -200.461790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.461790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.461790 (E_RNA)
where:
Base-Base interactions energy: -122.017
where: short stacking energy: -54.844
Base-Backbone interact. energy: -0.039
local terms energy: -78.406662
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -175.287618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.287618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.287618 (E_RNA)
where:
Base-Base interactions energy: -101.708
where: short stacking energy: -53.266
Base-Backbone interact. energy: 0.514
local terms energy: -74.092693
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -12.538
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: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -118.900001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.900001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.900001 (E_RNA)
where:
Base-Base interactions energy: -55.748
where: short stacking energy: -46.336
Base-Backbone interact. energy: -0.001
local terms energy: -63.150867
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -10.161
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: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -106.652087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.652087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.652087 (E_RNA)
where:
Base-Base interactions energy: -59.975
where: short stacking energy: -37.063
Base-Backbone interact. energy: 2.092
local terms energy: -48.769437
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -4.779
tors. eta vs tors. theta energy: -7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -90.129346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.129346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.129346 (E_RNA)
where:
Base-Base interactions energy: -39.537
where: short stacking energy: -27.569
Base-Backbone interact. energy: -0.093
local terms energy: -50.499651
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -8.156
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -7.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -92.104272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.104272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.104272 (E_RNA)
where:
Base-Base interactions energy: -40.559
where: short stacking energy: -39.746
Base-Backbone interact. energy: -0.062
local terms energy: -51.483891
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -4.473
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: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -251.865734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.865734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.865734 (E_RNA)
where:
Base-Base interactions energy: -168.778
where: short stacking energy: -72.224
Base-Backbone interact. energy: -0.654
local terms energy: -82.433296
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -221.341044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.341044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.341044 (E_RNA)
where:
Base-Base interactions energy: -148.800
where: short stacking energy: -65.946
Base-Backbone interact. energy: -0.368
local terms energy: -72.172918
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -209.267710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.267710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.267710 (E_RNA)
where:
Base-Base interactions energy: -137.548
where: short stacking energy: -64.280
Base-Backbone interact. energy: -1.597
local terms energy: -70.122714
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -200.595382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.595382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.595382 (E_RNA)
where:
Base-Base interactions energy: -137.638
where: short stacking energy: -57.486
Base-Backbone interact. energy: -0.375
local terms energy: -62.582743
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -12.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -202.615259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.615259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.615259 (E_RNA)
where:
Base-Base interactions energy: -131.647
where: short stacking energy: -71.831
Base-Backbone interact. energy: -0.192
local terms energy: -70.775993
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -168.749180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.749180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.749180 (E_RNA)
where:
Base-Base interactions energy: -106.958
where: short stacking energy: -49.961
Base-Backbone interact. energy: -0.084
local terms energy: -61.706825
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -12.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -90.765107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.765107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.765107 (E_RNA)
where:
Base-Base interactions energy: -35.785
where: short stacking energy: -35.785
Base-Backbone interact. energy: -0.304
local terms energy: -54.675498
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -88.173299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.173299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.173299 (E_RNA)
where:
Base-Base interactions energy: -34.192
where: short stacking energy: -29.732
Base-Backbone interact. energy: 0.098
local terms energy: -54.079080
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -92.349058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.349058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.349058 (E_RNA)
where:
Base-Base interactions energy: -37.658
where: short stacking energy: -28.570
Base-Backbone interact. energy: -0.177
local terms energy: -54.513303
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -9.891
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: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -77.555168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.555168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.555168 (E_RNA)
where:
Base-Base interactions energy: -26.110
where: short stacking energy: -11.389
Base-Backbone interact. energy: 0.797
local terms energy: -52.241929
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: 3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -244.817265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.817265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.817265 (E_RNA)
where:
Base-Base interactions energy: -166.786
where: short stacking energy: -71.009
Base-Backbone interact. energy: -0.652
local terms energy: -77.378719
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -11.763
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: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -231.266727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.266727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.266727 (E_RNA)
where:
Base-Base interactions energy: -155.231
where: short stacking energy: -56.433
Base-Backbone interact. energy: -1.265
local terms energy: -74.771419
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -15.317
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: 6
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -197.834164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.834164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.834164 (E_RNA)
where:
Base-Base interactions energy: -126.810
where: short stacking energy: -59.028
Base-Backbone interact. energy: -0.808
local terms energy: -70.216756
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -13.972
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: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -204.792287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.792287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.792287 (E_RNA)
where:
Base-Base interactions energy: -133.886
where: short stacking energy: -55.095
Base-Backbone interact. energy: -0.432
local terms energy: -70.473460
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -186.865312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.865312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.865312 (E_RNA)
where:
Base-Base interactions energy: -115.536
where: short stacking energy: -59.404
Base-Backbone interact. energy: -0.022
local terms energy: -71.306759
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -179.963952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.963952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.963952 (E_RNA)
where:
Base-Base interactions energy: -111.830
where: short stacking energy: -61.534
Base-Backbone interact. energy: -1.215
local terms energy: -66.918840
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -18.317
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: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -97.093489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.093489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.093489 (E_RNA)
where:
Base-Base interactions energy: -37.970
where: short stacking energy: -35.391
Base-Backbone interact. energy: -0.118
local terms energy: -59.006351
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -100.835212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.835212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.835212 (E_RNA)
where:
Base-Base interactions energy: -44.032
where: short stacking energy: -29.782
Base-Backbone interact. energy: -0.057
local terms energy: -56.746735
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -104.894000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.894000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.894000 (E_RNA)
where:
Base-Base interactions energy: -45.656
where: short stacking energy: -45.656
Base-Backbone interact. energy: -0.115
local terms energy: -59.123428
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -10.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -94.146968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.146968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.146968 (E_RNA)
where:
Base-Base interactions energy: -43.979
where: short stacking energy: -33.921
Base-Backbone interact. energy: -0.505
local terms energy: -49.662927
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -11.577
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: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -246.655020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.655020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.655020 (E_RNA)
where:
Base-Base interactions energy: -170.661
where: short stacking energy: -67.900
Base-Backbone interact. energy: -0.334
local terms energy: -75.660235
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -19.775
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: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -231.595941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.595941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.595941 (E_RNA)
where:
Base-Base interactions energy: -158.679
where: short stacking energy: -70.340
Base-Backbone interact. energy: -0.180
local terms energy: -72.736633
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -204.305257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.305257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.305257 (E_RNA)
where:
Base-Base interactions energy: -131.873
where: short stacking energy: -52.325
Base-Backbone interact. energy: -1.009
local terms energy: -71.423848
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -14.165
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: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -197.916332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.916332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.916332 (E_RNA)
where:
Base-Base interactions energy: -127.891
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.240
local terms energy: -69.785876
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -12.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -182.296661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.296661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.296661 (E_RNA)
where:
Base-Base interactions energy: -114.170
where: short stacking energy: -63.349
Base-Backbone interact. energy: -0.001
local terms energy: -68.125024
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -7.734
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -171.423767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.423767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.423767 (E_RNA)
where:
Base-Base interactions energy: -112.362
where: short stacking energy: -51.328
Base-Backbone interact. energy: -0.162
local terms energy: -58.900438
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -99.587738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.587738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.587738 (E_RNA)
where:
Base-Base interactions energy: -41.246
where: short stacking energy: -41.246
Base-Backbone interact. energy: 0.234
local terms energy: -58.575164
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -96.340525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.340525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.340525 (E_RNA)
where:
Base-Base interactions energy: -40.461
where: short stacking energy: -38.929
Base-Backbone interact. energy: -0.205
local terms energy: -55.674027
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -90.788870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.788870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.788870 (E_RNA)
where:
Base-Base interactions energy: -34.466
where: short stacking energy: -19.634
Base-Backbone interact. energy: -0.675
local terms energy: -55.648391
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: 0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -83.871314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.871314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.871314 (E_RNA)
where:
Base-Base interactions energy: -29.990
where: short stacking energy: -19.257
Base-Backbone interact. energy: 0.026
local terms energy: -53.907735
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -7.595
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: 1, replica: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -245.012818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.012818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.012818 (E_RNA)
where:
Base-Base interactions energy: -166.812
where: short stacking energy: -68.852
Base-Backbone interact. energy: -0.648
local terms energy: -77.552217
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -233.295019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.295019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.295019 (E_RNA)
where:
Base-Base interactions energy: -152.286
where: short stacking energy: -77.425
Base-Backbone interact. energy: -0.724
local terms energy: -80.284406
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -205.830430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.830430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.830430 (E_RNA)
where:
Base-Base interactions energy: -145.012
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.394
local terms energy: -60.425088
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -185.418467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.418467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.418467 (E_RNA)
where:
Base-Base interactions energy: -125.455
where: short stacking energy: -55.625
Base-Backbone interact. energy: -0.803
local terms energy: -59.160058
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -184.106576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.106576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.106576 (E_RNA)
where:
Base-Base interactions energy: -117.046
where: short stacking energy: -66.491
Base-Backbone interact. energy: 0.597
local terms energy: -67.656956
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -170.446751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.446751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.446751 (E_RNA)
where:
Base-Base interactions energy: -104.994
where: short stacking energy: -57.965
Base-Backbone interact. energy: -0.110
local terms energy: -65.342911
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -12.740
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: 7, replica: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -97.581684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.581684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.581684 (E_RNA)
where:
Base-Base interactions energy: -32.078
where: short stacking energy: -31.522
Base-Backbone interact. energy: -0.014
local terms energy: -65.489342
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -101.465264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.465264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.465264 (E_RNA)
where:
Base-Base interactions energy: -32.457
where: short stacking energy: -27.499
Base-Backbone interact. energy: -0.035
local terms energy: -68.973475
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -85.220065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.220065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.220065 (E_RNA)
where:
Base-Base interactions energy: -28.971
where: short stacking energy: -26.886
Base-Backbone interact. energy: -0.133
local terms energy: -56.116060
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: 1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -82.142291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.142291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.142291 (E_RNA)
where:
Base-Base interactions energy: -27.553
where: short stacking energy: -28.953
Base-Backbone interact. energy: -1.387
local terms energy: -53.201841
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -248.544246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.544246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.544246 (E_RNA)
where:
Base-Base interactions energy: -170.810
where: short stacking energy: -71.218
Base-Backbone interact. energy: -1.025
local terms energy: -76.709208
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -18.636
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: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -224.489860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.489860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.489860 (E_RNA)
where:
Base-Base interactions energy: -144.992
where: short stacking energy: -73.334
Base-Backbone interact. energy: -1.132
local terms energy: -78.366008
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -209.087239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.087239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.087239 (E_RNA)
where:
Base-Base interactions energy: -132.574
where: short stacking energy: -60.079
Base-Backbone interact. energy: -0.754
local terms energy: -75.759242
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -16.865
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: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -198.760025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.760025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.760025 (E_RNA)
where:
Base-Base interactions energy: -119.147
where: short stacking energy: -69.092
Base-Backbone interact. energy: -0.012
local terms energy: -79.600735
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -19.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -195.243523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.243523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.243523 (E_RNA)
where:
Base-Base interactions energy: -139.549
where: short stacking energy: -57.436
Base-Backbone interact. energy: -0.865
local terms energy: -54.830162
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -12.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -169.850107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.850107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.850107 (E_RNA)
where:
Base-Base interactions energy: -103.310
where: short stacking energy: -57.919
Base-Backbone interact. energy: -0.383
local terms energy: -66.156890
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -91.611055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.611055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.611055 (E_RNA)
where:
Base-Base interactions energy: -37.472
where: short stacking energy: -32.437
Base-Backbone interact. energy: -0.652
local terms energy: -53.486987
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -107.415679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.415679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.415679 (E_RNA)
where:
Base-Base interactions energy: -52.662
where: short stacking energy: -35.611
Base-Backbone interact. energy: -0.142
local terms energy: -54.611468
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -3.670
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: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -87.037013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.037013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.037013 (E_RNA)
where:
Base-Base interactions energy: -36.989
where: short stacking energy: -36.712
Base-Backbone interact. energy: -0.093
local terms energy: -49.955372
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -6.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -76.141429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.141429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.141429 (E_RNA)
where:
Base-Base interactions energy: -21.519
where: short stacking energy: -21.519
Base-Backbone interact. energy: -0.137
local terms energy: -54.485486
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -247.513343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.513343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.513343 (E_RNA)
where:
Base-Base interactions energy: -170.145
where: short stacking energy: -70.610
Base-Backbone interact. energy: -0.500
local terms energy: -76.868021
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -20.367
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: 2, replica: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -217.389410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.389410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.389410 (E_RNA)
where:
Base-Base interactions energy: -138.088
where: short stacking energy: -75.586
Base-Backbone interact. energy: -0.381
local terms energy: -78.920057
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -22.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -194.645579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.645579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.645579 (E_RNA)
where:
Base-Base interactions energy: -122.019
where: short stacking energy: -67.991
Base-Backbone interact. energy: -1.642
local terms energy: -70.985038
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -16.854
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: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -213.597946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.597946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.597946 (E_RNA)
where:
Base-Base interactions energy: -141.694
where: short stacking energy: -62.752
Base-Backbone interact. energy: -0.096
local terms energy: -71.808260
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -173.994143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.994143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.994143 (E_RNA)
where:
Base-Base interactions energy: -104.248
where: short stacking energy: -55.404
Base-Backbone interact. energy: -0.175
local terms energy: -69.571259
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -174.939733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.939733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.939733 (E_RNA)
where:
Base-Base interactions energy: -108.368
where: short stacking energy: -60.588
Base-Backbone interact. energy: -0.051
local terms energy: -66.519960
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -9.900
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: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -106.076963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.076963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.076963 (E_RNA)
where:
Base-Base interactions energy: -48.815
where: short stacking energy: -42.078
Base-Backbone interact. energy: -0.029
local terms energy: -57.233393
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -9.141
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: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -89.404795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.404795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.404795 (E_RNA)
where:
Base-Base interactions energy: -36.956
where: short stacking energy: -31.024
Base-Backbone interact. energy: 0.435
local terms energy: -52.883030
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -86.241800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.241800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.241800 (E_RNA)
where:
Base-Base interactions energy: -41.965
where: short stacking energy: -21.996
Base-Backbone interact. energy: -0.483
local terms energy: -43.794123
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: 0.691
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: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -76.233286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.233286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.233286 (E_RNA)
where:
Base-Base interactions energy: -24.502
where: short stacking energy: -24.502
Base-Backbone interact. energy: -0.163
local terms energy: -51.567559
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -247.993871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.993871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.993871 (E_RNA)
where:
Base-Base interactions energy: -168.229
where: short stacking energy: -67.963
Base-Backbone interact. energy: -0.821
local terms energy: -78.943824
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -12.944
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: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -210.035597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.035597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.035597 (E_RNA)
where:
Base-Base interactions energy: -134.411
where: short stacking energy: -69.998
Base-Backbone interact. energy: 0.149
local terms energy: -75.773630
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -14.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -204.030632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.030632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.030632 (E_RNA)
where:
Base-Base interactions energy: -134.447
where: short stacking energy: -69.039
Base-Backbone interact. energy: -0.061
local terms energy: -69.522891
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -208.316538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.316538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.316538 (E_RNA)
where:
Base-Base interactions energy: -144.976
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.197
local terms energy: -63.144141
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -182.928820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.928820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.928820 (E_RNA)
where:
Base-Base interactions energy: -117.013
where: short stacking energy: -62.225
Base-Backbone interact. energy: -0.760
local terms energy: -65.156101
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -14.873
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: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -174.637588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.637588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.637588 (E_RNA)
where:
Base-Base interactions energy: -114.056
where: short stacking energy: -59.237
Base-Backbone interact. energy: -0.155
local terms energy: -60.426955
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -8.263
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: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -89.384151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.384151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.384151 (E_RNA)
where:
Base-Base interactions energy: -44.355
where: short stacking energy: -29.471
Base-Backbone interact. energy: -0.470
local terms energy: -44.560055
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -5.929
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: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -110.704033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.704033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.704033 (E_RNA)
where:
Base-Base interactions energy: -64.351
where: short stacking energy: -35.066
Base-Backbone interact. energy: -1.476
local terms energy: -44.876895
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -90.162833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.162833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.162833 (E_RNA)
where:
Base-Base interactions energy: -47.644
where: short stacking energy: -41.871
Base-Backbone interact. energy: -0.046
local terms energy: -42.473153
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -4.001
tors. eta vs tors. theta energy: -4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -88.615338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.615338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.615338 (E_RNA)
where:
Base-Base interactions energy: -32.336
where: short stacking energy: -31.151
Base-Backbone interact. energy: 0.774
local terms energy: -57.052786
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -248.247544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.247544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.247544 (E_RNA)
where:
Base-Base interactions energy: -171.007
where: short stacking energy: -66.093
Base-Backbone interact. energy: -0.637
local terms energy: -76.602902
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -215.942494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.942494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.942494 (E_RNA)
where:
Base-Base interactions energy: -144.553
where: short stacking energy: -71.501
Base-Backbone interact. energy: -0.084
local terms energy: -71.305929
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -212.015846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.015846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.015846 (E_RNA)
where:
Base-Base interactions energy: -141.788
where: short stacking energy: -53.607
Base-Backbone interact. energy: -0.143
local terms energy: -70.085286
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -209.762687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.762687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.762687 (E_RNA)
where:
Base-Base interactions energy: -129.096
where: short stacking energy: -63.434
Base-Backbone interact. energy: -1.451
local terms energy: -79.215222
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -11.797
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: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -180.559167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.559167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.559167 (E_RNA)
where:
Base-Base interactions energy: -125.516
where: short stacking energy: -50.414
Base-Backbone interact. energy: -0.174
local terms energy: -54.869161
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -0.428
tors. eta vs tors. theta energy: -8.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -176.021800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.021800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.021800 (E_RNA)
where:
Base-Base interactions energy: -112.777
where: short stacking energy: -59.328
Base-Backbone interact. energy: 0.004
local terms energy: -63.249068
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -111.887804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.887804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.887804 (E_RNA)
where:
Base-Base interactions energy: -52.913
where: short stacking energy: -35.832
Base-Backbone interact. energy: -0.243
local terms energy: -58.731876
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -89.787736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.787736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.787736 (E_RNA)
where:
Base-Base interactions energy: -33.904
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.111
local terms energy: -55.773062
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -82.609759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.609759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.609759 (E_RNA)
where:
Base-Base interactions energy: -39.926
where: short stacking energy: -35.301
Base-Backbone interact. energy: -0.317
local terms energy: -42.367335
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -8.015
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -6.422
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: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -95.833531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.833531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.833531 (E_RNA)
where:
Base-Base interactions energy: -50.231
where: short stacking energy: -34.760
Base-Backbone interact. energy: -0.700
local terms energy: -44.902878
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -4.690
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -246.904536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.904536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.904536 (E_RNA)
where:
Base-Base interactions energy: -163.424
where: short stacking energy: -72.490
Base-Backbone interact. energy: -0.305
local terms energy: -83.175504
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -22.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -226.501504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.501504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.501504 (E_RNA)
where:
Base-Base interactions energy: -154.714
where: short stacking energy: -61.507
Base-Backbone interact. energy: -0.797
local terms energy: -70.990071
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -12.591
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: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -195.303351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.303351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.303351 (E_RNA)
where:
Base-Base interactions energy: -124.305
where: short stacking energy: -65.774
Base-Backbone interact. energy: -0.076
local terms energy: -70.922644
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -19.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -200.390778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.390778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.390778 (E_RNA)
where:
Base-Base interactions energy: -129.441
where: short stacking energy: -54.738
Base-Backbone interact. energy: -0.280
local terms energy: -70.669881
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -12.715
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: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -187.707324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.707324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.707324 (E_RNA)
where:
Base-Base interactions energy: -121.256
where: short stacking energy: -45.568
Base-Backbone interact. energy: -1.041
local terms energy: -65.409944
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -7.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -183.406663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.406663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.406663 (E_RNA)
where:
Base-Base interactions energy: -126.865
where: short stacking energy: -49.803
Base-Backbone interact. energy: -0.510
local terms energy: -56.031224
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -10.251
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -13.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -101.627374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.627374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.627374 (E_RNA)
where:
Base-Base interactions energy: -37.313
where: short stacking energy: -36.254
Base-Backbone interact. energy: -1.207
local terms energy: -63.107261
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -10.567
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: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -93.553936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.553936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.553936 (E_RNA)
where:
Base-Base interactions energy: -38.944
where: short stacking energy: -34.474
Base-Backbone interact. energy: -0.157
local terms energy: -54.453565
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: 0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -84.903268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.903268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.903268 (E_RNA)
where:
Base-Base interactions energy: -30.552
where: short stacking energy: -28.856
Base-Backbone interact. energy: -0.047
local terms energy: -54.304643
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -79.471205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.471205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.471205 (E_RNA)
where:
Base-Base interactions energy: -26.429
where: short stacking energy: -24.329
Base-Backbone interact. energy: 0.125
local terms energy: -53.168041
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -236.240195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.240195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.240195 (E_RNA)
where:
Base-Base interactions energy: -160.401
where: short stacking energy: -63.671
Base-Backbone interact. energy: -0.112
local terms energy: -75.727446
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -239.105688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.105688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.105688 (E_RNA)
where:
Base-Base interactions energy: -165.279
where: short stacking energy: -67.981
Base-Backbone interact. energy: -0.092
local terms energy: -73.733765
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -193.772961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.772961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.772961 (E_RNA)
where:
Base-Base interactions energy: -127.781
where: short stacking energy: -62.273
Base-Backbone interact. energy: -0.019
local terms energy: -65.972864
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -8.872
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: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -203.619972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.619972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.619972 (E_RNA)
where:
Base-Base interactions energy: -133.324
where: short stacking energy: -63.382
Base-Backbone interact. energy: -0.008
local terms energy: -70.288015
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -18.200
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: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -194.310095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.310095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.310095 (E_RNA)
where:
Base-Base interactions energy: -139.136
where: short stacking energy: -56.537
Base-Backbone interact. energy: -0.314
local terms energy: -54.859885
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -188.885170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.885170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.885170 (E_RNA)
where:
Base-Base interactions energy: -118.121
where: short stacking energy: -44.470
Base-Backbone interact. energy: -0.700
local terms energy: -70.063987
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -11.434
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: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -96.721952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.721952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.721952 (E_RNA)
where:
Base-Base interactions energy: -34.362
where: short stacking energy: -34.362
Base-Backbone interact. energy: -0.321
local terms energy: -62.038865
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -7.948
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: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -95.343280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.343280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.343280 (E_RNA)
where:
Base-Base interactions energy: -45.232
where: short stacking energy: -41.802
Base-Backbone interact. energy: -0.057
local terms energy: -50.054324
where:
bonds (distance) C4'-P energy: -8.918
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -103.176978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.176978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.176978 (E_RNA)
where:
Base-Base interactions energy: -41.604
where: short stacking energy: -41.604
Base-Backbone interact. energy: -0.141
local terms energy: -61.432723
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -7.923
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: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -81.548238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.548238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.548238 (E_RNA)
where:
Base-Base interactions energy: -33.004
where: short stacking energy: -33.004
Base-Backbone interact. energy: -0.054
local terms energy: -48.489698
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: 0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -235.960086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.960086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.960086 (E_RNA)
where:
Base-Base interactions energy: -158.301
where: short stacking energy: -57.492
Base-Backbone interact. energy: -0.153
local terms energy: -77.506813
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -14.004
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: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -238.674124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.674124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.674124 (E_RNA)
where:
Base-Base interactions energy: -158.761
where: short stacking energy: -66.168
Base-Backbone interact. energy: -1.417
local terms energy: -78.495848
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -10.717
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: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -204.828151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.828151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.828151 (E_RNA)
where:
Base-Base interactions energy: -125.413
where: short stacking energy: -70.356
Base-Backbone interact. energy: -0.014
local terms energy: -79.400204
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -198.328420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.328420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.328420 (E_RNA)
where:
Base-Base interactions energy: -137.453
where: short stacking energy: -54.719
Base-Backbone interact. energy: -0.839
local terms energy: -60.035835
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -3.534
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -184.213760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.213760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.213760 (E_RNA)
where:
Base-Base interactions energy: -122.677
where: short stacking energy: -55.539
Base-Backbone interact. energy: -0.166
local terms energy: -61.371205
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -6.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -197.480883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.480883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.480883 (E_RNA)
where:
Base-Base interactions energy: -129.418
where: short stacking energy: -61.615
Base-Backbone interact. energy: -0.235
local terms energy: -67.828626
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -14.271
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: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -99.240486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.240486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.240486 (E_RNA)
where:
Base-Base interactions energy: -44.925
where: short stacking energy: -42.388
Base-Backbone interact. energy: 0.568
local terms energy: -54.883232
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -8.186
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -10.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -100.843635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.843635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.843635 (E_RNA)
where:
Base-Base interactions energy: -41.464
where: short stacking energy: -37.145
Base-Backbone interact. energy: -0.194
local terms energy: -59.185901
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -7.965
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: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -85.535345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.535345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.535345 (E_RNA)
where:
Base-Base interactions energy: -41.445
where: short stacking energy: -40.183
Base-Backbone interact. energy: -0.756
local terms energy: -43.334204
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -2.849
tors. eta vs tors. theta energy: -3.337
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: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -74.736215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.736215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.736215 (E_RNA)
where:
Base-Base interactions energy: -27.038
where: short stacking energy: -24.792
Base-Backbone interact. energy: -0.092
local terms energy: -47.605412
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -7.338
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: 1, replica: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -242.238248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.238248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.238248 (E_RNA)
where:
Base-Base interactions energy: -167.856
where: short stacking energy: -58.252
Base-Backbone interact. energy: -0.381
local terms energy: -74.001735
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -12.546
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: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -229.057122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.057122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.057122 (E_RNA)
where:
Base-Base interactions energy: -160.505
where: short stacking energy: -63.436
Base-Backbone interact. energy: -0.089
local terms energy: -68.463317
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -206.290832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.290832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.290832 (E_RNA)
where:
Base-Base interactions energy: -134.671
where: short stacking energy: -56.456
Base-Backbone interact. energy: 0.407
local terms energy: -72.027596
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -198.618766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.618766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.618766 (E_RNA)
where:
Base-Base interactions energy: -126.212
where: short stacking energy: -63.407
Base-Backbone interact. energy: -0.121
local terms energy: -72.285841
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -12.235
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: 5, replica: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -192.843010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.843010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.843010 (E_RNA)
where:
Base-Base interactions energy: -131.616
where: short stacking energy: -54.730
Base-Backbone interact. energy: -0.020
local terms energy: -61.206924
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -8.548
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: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -156.302284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.302284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.302284 (E_RNA)
where:
Base-Base interactions energy: -94.328
where: short stacking energy: -45.571
Base-Backbone interact. energy: -0.157
local terms energy: -61.816874
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -8.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -100.675532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.675532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.675532 (E_RNA)
where:
Base-Base interactions energy: -47.458
where: short stacking energy: -40.956
Base-Backbone interact. energy: -0.022
local terms energy: -53.195351
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -8.386
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: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -111.524018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.524018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.524018 (E_RNA)
where:
Base-Base interactions energy: -53.563
where: short stacking energy: -45.494
Base-Backbone interact. energy: -0.313
local terms energy: -57.647416
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -8.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -81.349296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.349296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.349296 (E_RNA)
where:
Base-Base interactions energy: -38.399
where: short stacking energy: -26.574
Base-Backbone interact. energy: -0.262
local terms energy: -42.688429
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: 2.228
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: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -88.892696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.892696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.892696 (E_RNA)
where:
Base-Base interactions energy: -40.691
where: short stacking energy: -26.515
Base-Backbone interact. energy: -0.061
local terms energy: -48.139923
where:
bonds (distance) C4'-P energy: -7.547
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -5.650
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: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -244.362178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.362178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.362178 (E_RNA)
where:
Base-Base interactions energy: -164.594
where: short stacking energy: -71.574
Base-Backbone interact. energy: -0.224
local terms energy: -79.543631
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -21.136
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: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -237.885730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.885730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.885730 (E_RNA)
where:
Base-Base interactions energy: -159.005
where: short stacking energy: -66.426
Base-Backbone interact. energy: -0.933
local terms energy: -77.948015
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -18.576
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: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -192.171462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.171462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.171462 (E_RNA)
where:
Base-Base interactions energy: -120.174
where: short stacking energy: -47.062
Base-Backbone interact. energy: -0.784
local terms energy: -71.213267
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -11.604
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: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -189.873031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.873031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.873031 (E_RNA)
where:
Base-Base interactions energy: -122.654
where: short stacking energy: -54.346
Base-Backbone interact. energy: -0.727
local terms energy: -66.491941
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -7.685
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: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -200.440781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.440781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.440781 (E_RNA)
where:
Base-Base interactions energy: -130.115
where: short stacking energy: -59.753
Base-Backbone interact. energy: -0.069
local terms energy: -70.256780
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -11.771
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: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -188.188109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.188109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.188109 (E_RNA)
where:
Base-Base interactions energy: -124.755
where: short stacking energy: -62.956
Base-Backbone interact. energy: -0.442
local terms energy: -62.991186
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -2.705
tors. eta vs tors. theta energy: -22.966
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: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -102.350034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.350034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.350034 (E_RNA)
where:
Base-Base interactions energy: -40.410
where: short stacking energy: -39.262
Base-Backbone interact. energy: 1.704
local terms energy: -63.644084
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -10.375
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: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -100.175096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.175096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.175096 (E_RNA)
where:
Base-Base interactions energy: -35.517
where: short stacking energy: -30.229
Base-Backbone interact. energy: -0.242
local terms energy: -64.416514
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -91.389482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.389482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.389482 (E_RNA)
where:
Base-Base interactions energy: -39.890
where: short stacking energy: -26.297
Base-Backbone interact. energy: -0.497
local terms energy: -51.002607
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -7.972
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: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -82.601095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.601095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.601095 (E_RNA)
where:
Base-Base interactions energy: -28.002
where: short stacking energy: -23.354
Base-Backbone interact. energy: -0.415
local terms energy: -54.183482
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -236.900820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.900820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.900820 (E_RNA)
where:
Base-Base interactions energy: -158.340
where: short stacking energy: -66.242
Base-Backbone interact. energy: -0.420
local terms energy: -78.141477
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -17.890
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: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -224.136493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.136493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.136493 (E_RNA)
where:
Base-Base interactions energy: -150.800
where: short stacking energy: -58.154
Base-Backbone interact. energy: -0.050
local terms energy: -73.286310
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -199.887697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.887697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.887697 (E_RNA)
where:
Base-Base interactions energy: -128.766
where: short stacking energy: -53.945
Base-Backbone interact. energy: -0.220
local terms energy: -70.901409
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -16.515
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: 4, replica: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -194.127431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.127431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.127431 (E_RNA)
where:
Base-Base interactions energy: -122.873
where: short stacking energy: -53.787
Base-Backbone interact. energy: -0.999
local terms energy: -70.255055
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -13.262
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: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -188.556861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.556861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.556861 (E_RNA)
where:
Base-Base interactions energy: -114.426
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.049
local terms energy: -74.082592
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -179.535519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.535519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.535519 (E_RNA)
where:
Base-Base interactions energy: -114.357
where: short stacking energy: -59.773
Base-Backbone interact. energy: -0.159
local terms energy: -65.020332
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -96.840442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.840442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.840442 (E_RNA)
where:
Base-Base interactions energy: -40.189
where: short stacking energy: -33.860
Base-Backbone interact. energy: -0.243
local terms energy: -56.408848
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -89.506476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.506476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.506476 (E_RNA)
where:
Base-Base interactions energy: -36.020
where: short stacking energy: -36.020
Base-Backbone interact. energy: -0.636
local terms energy: -52.850595
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -5.825
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: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -87.445759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.445759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.445759 (E_RNA)
where:
Base-Base interactions energy: -40.058
where: short stacking energy: -39.305
Base-Backbone interact. energy: -0.167
local terms energy: -47.220881
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -78.695710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.695710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.695710 (E_RNA)
where:
Base-Base interactions energy: -29.469
where: short stacking energy: -24.078
Base-Backbone interact. energy: -0.246
local terms energy: -48.980674
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -240.314423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.314423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.314423 (E_RNA)
where:
Base-Base interactions energy: -162.395
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.344
local terms energy: -77.575329
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -16.361
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: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -213.623905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.623905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.623905 (E_RNA)
where:
Base-Base interactions energy: -133.869
where: short stacking energy: -65.369
Base-Backbone interact. energy: -0.967
local terms energy: -78.787389
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -9.607
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: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -219.948254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.948254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.948254 (E_RNA)
where:
Base-Base interactions energy: -147.810
where: short stacking energy: -74.643
Base-Backbone interact. energy: -0.007
local terms energy: -72.131286
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -22.940
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: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -196.746600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.746600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.746600 (E_RNA)
where:
Base-Base interactions energy: -123.650
where: short stacking energy: -48.667
Base-Backbone interact. energy: -0.308
local terms energy: -72.788522
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -187.259888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.259888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.259888 (E_RNA)
where:
Base-Base interactions energy: -115.240
where: short stacking energy: -58.278
Base-Backbone interact. energy: 1.030
local terms energy: -73.049738
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -170.806001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.806001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.806001 (E_RNA)
where:
Base-Base interactions energy: -103.545
where: short stacking energy: -47.964
Base-Backbone interact. energy: -0.288
local terms energy: -66.972630
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -7.678
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: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -101.374170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.374170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.374170 (E_RNA)
where:
Base-Base interactions energy: -53.502
where: short stacking energy: -40.265
Base-Backbone interact. energy: 2.988
local terms energy: -50.860953
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -7.282
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -96.961208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.961208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.961208 (E_RNA)
where:
Base-Base interactions energy: -36.839
where: short stacking energy: -31.442
Base-Backbone interact. energy: -0.163
local terms energy: -59.958921
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -1.376
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: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -105.887311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.887311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.887311 (E_RNA)
where:
Base-Base interactions energy: -58.309
where: short stacking energy: -35.076
Base-Backbone interact. energy: -0.037
local terms energy: -47.541781
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -3.974
tors. eta vs tors. theta energy: -2.100
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: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -93.427202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.427202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.427202 (E_RNA)
where:
Base-Base interactions energy: -45.978
where: short stacking energy: -45.978
Base-Backbone interact. energy: -0.004
local terms energy: -47.444734
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -9.541
flat angles P-C4'-P energy: -3.320
tors. eta vs tors. theta energy: -8.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -223.995533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.995533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.995533 (E_RNA)
where:
Base-Base interactions energy: -144.022
where: short stacking energy: -73.145
Base-Backbone interact. energy: -0.095
local terms energy: -79.878361
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -20.680
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: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -237.387963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.387963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.387963 (E_RNA)
where:
Base-Base interactions energy: -159.748
where: short stacking energy: -66.051
Base-Backbone interact. energy: -0.095
local terms energy: -77.544848
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -12.342
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: 3, replica: 6
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -204.899683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.899683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.899683 (E_RNA)
where:
Base-Base interactions energy: -127.320
where: short stacking energy: -62.092
Base-Backbone interact. energy: -0.951
local terms energy: -76.629033
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -214.306207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.306207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.306207 (E_RNA)
where:
Base-Base interactions energy: -142.967
where: short stacking energy: -64.600
Base-Backbone interact. energy: -2.433
local terms energy: -68.906060
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -184.785923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.785923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.785923 (E_RNA)
where:
Base-Base interactions energy: -120.927
where: short stacking energy: -47.356
Base-Backbone interact. energy: -0.156
local terms energy: -63.703181
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -162.601175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.601175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.601175 (E_RNA)
where:
Base-Base interactions energy: -97.117
where: short stacking energy: -46.516
Base-Backbone interact. energy: -0.072
local terms energy: -65.412231
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -91.470571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.470571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.470571 (E_RNA)
where:
Base-Base interactions energy: -42.040
where: short stacking energy: -27.021
Base-Backbone interact. energy: -0.301
local terms energy: -49.129325
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: 0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -102.152000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.152000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.152000 (E_RNA)
where:
Base-Base interactions energy: -49.230
where: short stacking energy: -44.158
Base-Backbone interact. energy: -0.661
local terms energy: -52.261045
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -8.246
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -7.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -103.010310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.010310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.010310 (E_RNA)
where:
Base-Base interactions energy: -55.972
where: short stacking energy: -31.366
Base-Backbone interact. energy: -0.021
local terms energy: -47.017274
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -8.972
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -86.897070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.897070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.897070 (E_RNA)
where:
Base-Base interactions energy: -36.849
where: short stacking energy: -35.719
Base-Backbone interact. energy: -0.106
local terms energy: -49.942498
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -7.099
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: 121
Temperature: 0.900000
Total energy: -235.526345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.526345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.526345 (E_RNA)
where:
Base-Base interactions energy: -155.106
where: short stacking energy: -75.373
Base-Backbone interact. energy: -0.032
local terms energy: -80.388020
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -18.521
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: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -236.745011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.745011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.745011 (E_RNA)
where:
Base-Base interactions energy: -165.022
where: short stacking energy: -66.783
Base-Backbone interact. energy: -0.261
local terms energy: -71.462364
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -12.946
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: 3, replica: 6
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -204.288368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.288368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.288368 (E_RNA)
where:
Base-Base interactions energy: -140.952
where: short stacking energy: -59.071
Base-Backbone interact. energy: -0.047
local terms energy: -63.289707
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -235.969035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.969035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.969035 (E_RNA)
where:
Base-Base interactions energy: -153.618
where: short stacking energy: -73.214
Base-Backbone interact. energy: -0.174
local terms energy: -82.177056
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -12.951
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: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -202.239033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.239033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.239033 (E_RNA)
where:
Base-Base interactions energy: -130.170
where: short stacking energy: -64.413
Base-Backbone interact. energy: -1.844
local terms energy: -70.224558
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -10.576
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: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -178.331513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.331513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.331513 (E_RNA)
where:
Base-Base interactions energy: -113.740
where: short stacking energy: -58.526
Base-Backbone interact. energy: -0.017
local terms energy: -64.574129
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -102.938778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.938778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.938778 (E_RNA)
where:
Base-Base interactions energy: -47.209
where: short stacking energy: -22.622
Base-Backbone interact. energy: -0.358
local terms energy: -55.372072
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -99.119531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.119531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.119531 (E_RNA)
where:
Base-Base interactions energy: -50.107
where: short stacking energy: -41.991
Base-Backbone interact. energy: -0.016
local terms energy: -48.996956
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -95.310904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.310904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.310904 (E_RNA)
where:
Base-Base interactions energy: -46.476
where: short stacking energy: -39.165
Base-Backbone interact. energy: -0.163
local terms energy: -48.671883
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -8.309
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: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -83.881087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.881087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.881087 (E_RNA)
where:
Base-Base interactions energy: -32.035
where: short stacking energy: -27.749
Base-Backbone interact. energy: -0.433
local terms energy: -51.412725
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -230.623685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.623685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.623685 (E_RNA)
where:
Base-Base interactions energy: -159.405
where: short stacking energy: -66.280
Base-Backbone interact. energy: -1.544
local terms energy: -69.674861
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -18.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -227.262119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.262119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.262119 (E_RNA)
where:
Base-Base interactions energy: -147.494
where: short stacking energy: -81.967
Base-Backbone interact. energy: -0.003
local terms energy: -79.765122
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -12.440
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: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -227.900807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.900807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.900807 (E_RNA)
where:
Base-Base interactions energy: -152.824
where: short stacking energy: -72.817
Base-Backbone interact. energy: -0.560
local terms energy: -74.516104
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -24.388
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: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -184.895411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.895411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.895411 (E_RNA)
where:
Base-Base interactions energy: -121.796
where: short stacking energy: -45.010
Base-Backbone interact. energy: -0.182
local terms energy: -62.917898
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -191.446692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.446692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.446692 (E_RNA)
where:
Base-Base interactions energy: -118.101
where: short stacking energy: -58.181
Base-Backbone interact. energy: -0.040
local terms energy: -73.305783
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -197.937410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.937410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.937410 (E_RNA)
where:
Base-Base interactions energy: -122.370
where: short stacking energy: -60.307
Base-Backbone interact. energy: 0.078
local terms energy: -75.645792
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -9.549
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: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -104.726938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.726938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.726938 (E_RNA)
where:
Base-Base interactions energy: -47.792
where: short stacking energy: -35.726
Base-Backbone interact. energy: -0.145
local terms energy: -56.790614
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -5.460
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: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -97.946148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.946148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.946148 (E_RNA)
where:
Base-Base interactions energy: -38.426
where: short stacking energy: -38.426
Base-Backbone interact. energy: -0.175
local terms energy: -59.346039
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -10.387
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: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -77.019203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.019203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.019203 (E_RNA)
where:
Base-Base interactions energy: -20.551
where: short stacking energy: -20.551
Base-Backbone interact. energy: -0.546
local terms energy: -55.921992
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: 1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -95.722707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.722707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.722707 (E_RNA)
where:
Base-Base interactions energy: -41.965
where: short stacking energy: -28.966
Base-Backbone interact. energy: -0.284
local terms energy: -53.473076
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -7.672
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: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -232.904059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.904059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.904059 (E_RNA)
where:
Base-Base interactions energy: -161.269
where: short stacking energy: -66.817
Base-Backbone interact. energy: -0.105
local terms energy: -71.530577
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -234.641168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.641168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.641168 (E_RNA)
where:
Base-Base interactions energy: -156.081
where: short stacking energy: -73.131
Base-Backbone interact. energy: -1.000
local terms energy: -77.559537
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -23.431
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: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -198.234352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.234352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.234352 (E_RNA)
where:
Base-Base interactions energy: -129.014
where: short stacking energy: -64.355
Base-Backbone interact. energy: -0.025
local terms energy: -69.195128
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -193.594462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.594462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.594462 (E_RNA)
where:
Base-Base interactions energy: -124.919
where: short stacking energy: -65.547
Base-Backbone interact. energy: 2.002
local terms energy: -70.677494
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -10.647
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: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -172.300990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.300990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.300990 (E_RNA)
where:
Base-Base interactions energy: -106.667
where: short stacking energy: -48.424
Base-Backbone interact. energy: -0.956
local terms energy: -64.677591
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -199.367092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.367092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.367092 (E_RNA)
where:
Base-Base interactions energy: -130.622
where: short stacking energy: -62.720
Base-Backbone interact. energy: 0.697
local terms energy: -69.441485
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -19.860
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: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -113.961498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.961498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.961498 (E_RNA)
where:
Base-Base interactions energy: -54.724
where: short stacking energy: -30.258
Base-Backbone interact. energy: -0.027
local terms energy: -59.210708
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.023
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: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -86.194202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.194202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.194202 (E_RNA)
where:
Base-Base interactions energy: -31.539
where: short stacking energy: -30.271
Base-Backbone interact. energy: -0.245
local terms energy: -54.410496
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -81.161827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.161827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.161827 (E_RNA)
where:
Base-Base interactions energy: -27.523
where: short stacking energy: -27.405
Base-Backbone interact. energy: 1.115
local terms energy: -54.753976
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -1.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -79.178924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.178924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.178924 (E_RNA)
where:
Base-Base interactions energy: -28.929
where: short stacking energy: -28.929
Base-Backbone interact. energy: -0.160
local terms energy: -50.090079
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: 0.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -241.750258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.750258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.750258 (E_RNA)
where:
Base-Base interactions energy: -163.243
where: short stacking energy: -67.285
Base-Backbone interact. energy: -0.142
local terms energy: -78.365059
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -18.073
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: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -204.878570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.878570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.878570 (E_RNA)
where:
Base-Base interactions energy: -130.174
where: short stacking energy: -58.151
Base-Backbone interact. energy: -2.259
local terms energy: -72.445267
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -16.621
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: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -209.897573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.897573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.897573 (E_RNA)
where:
Base-Base interactions energy: -139.607
where: short stacking energy: -60.992
Base-Backbone interact. energy: -0.662
local terms energy: -69.628425
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -10.689
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: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -194.497765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.497765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.497765 (E_RNA)
where:
Base-Base interactions energy: -129.187
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.396
local terms energy: -64.914354
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -212.197397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.197397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.197397 (E_RNA)
where:
Base-Base interactions energy: -128.115
where: short stacking energy: -68.824
Base-Backbone interact. energy: -2.328
local terms energy: -81.754353
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -11.207
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: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -179.985586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.985586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.985586 (E_RNA)
where:
Base-Base interactions energy: -113.371
where: short stacking energy: -58.476
Base-Backbone interact. energy: -0.142
local terms energy: -66.472480
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -141.082866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.082866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.082866 (E_RNA)
where:
Base-Base interactions energy: -91.007
where: short stacking energy: -40.400
Base-Backbone interact. energy: -0.190
local terms energy: -49.885724
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -88.798113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.798113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.798113 (E_RNA)
where:
Base-Base interactions energy: -40.337
where: short stacking energy: -35.007
Base-Backbone interact. energy: -0.222
local terms energy: -48.238853
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -88.159854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.159854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.159854 (E_RNA)
where:
Base-Base interactions energy: -29.360
where: short stacking energy: -29.360
Base-Backbone interact. energy: -0.043
local terms energy: -58.756582
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -77.299352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.299352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.299352 (E_RNA)
where:
Base-Base interactions energy: -32.304
where: short stacking energy: -17.537
Base-Backbone interact. energy: -0.472
local terms energy: -44.524178
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: 2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -242.428237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.428237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.428237 (E_RNA)
where:
Base-Base interactions energy: -164.083
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.116
local terms energy: -78.228804
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -15.898
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: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -217.009934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.009934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.009934 (E_RNA)
where:
Base-Base interactions energy: -139.258
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.587
local terms energy: -77.164383
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -21.067
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: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -205.912593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.912593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.912593 (E_RNA)
where:
Base-Base interactions energy: -133.131
where: short stacking energy: -67.742
Base-Backbone interact. energy: -1.676
local terms energy: -71.105817
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -209.768869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.768869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.768869 (E_RNA)
where:
Base-Base interactions energy: -137.695
where: short stacking energy: -64.387
Base-Backbone interact. energy: 1.555
local terms energy: -73.628976
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -190.040143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.040143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.040143 (E_RNA)
where:
Base-Base interactions energy: -122.954
where: short stacking energy: -58.329
Base-Backbone interact. energy: -0.487
local terms energy: -66.599114
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -14.967
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: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -139.538106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.538106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.538106 (E_RNA)
where:
Base-Base interactions energy: -82.146
where: short stacking energy: -35.073
Base-Backbone interact. energy: -0.229
local terms energy: -57.163274
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -140.536574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.536574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.536574 (E_RNA)
where:
Base-Base interactions energy: -88.179
where: short stacking energy: -43.699
Base-Backbone interact. energy: -0.350
local terms energy: -52.007632
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -11.288
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: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -96.565052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.565052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.565052 (E_RNA)
where:
Base-Base interactions energy: -40.383
where: short stacking energy: -40.383
Base-Backbone interact. energy: 0.051
local terms energy: -56.233032
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -2.446
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -90.195744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.195744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.195744 (E_RNA)
where:
Base-Base interactions energy: -36.518
where: short stacking energy: -32.001
Base-Backbone interact. energy: -1.068
local terms energy: -52.609647
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -79.189307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.189307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.189307 (E_RNA)
where:
Base-Base interactions energy: -33.239
where: short stacking energy: -26.050
Base-Backbone interact. energy: -0.485
local terms energy: -45.465211
where:
bonds (distance) C4'-P energy: -7.547
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -10.072
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: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -229.663916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.663916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.663916 (E_RNA)
where:
Base-Base interactions energy: -152.979
where: short stacking energy: -67.671
Base-Backbone interact. energy: -0.013
local terms energy: -76.671241
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -10.478
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: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -221.053450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.053450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.053450 (E_RNA)
where:
Base-Base interactions energy: -142.072
where: short stacking energy: -71.541
Base-Backbone interact. energy: 0.907
local terms energy: -79.888793
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -213.765846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.765846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.765846 (E_RNA)
where:
Base-Base interactions energy: -140.595
where: short stacking energy: -68.528
Base-Backbone interact. energy: -0.540
local terms energy: -72.630619
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -217.309169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.309169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.309169 (E_RNA)
where:
Base-Base interactions energy: -142.223
where: short stacking energy: -64.609
Base-Backbone interact. energy: -1.145
local terms energy: -73.941517
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -190.441403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.441403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.441403 (E_RNA)
where:
Base-Base interactions energy: -116.413
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.929
local terms energy: -73.099189
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -106.702868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.702868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.702868 (E_RNA)
where:
Base-Base interactions energy: -39.459
where: short stacking energy: -39.213
Base-Backbone interact. energy: -0.095
local terms energy: -67.148355
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -6.629
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: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -95.588195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.588195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.588195 (E_RNA)
where:
Base-Base interactions energy: -40.069
where: short stacking energy: -40.069
Base-Backbone interact. energy: -0.073
local terms energy: -55.445819
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -149.136911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.136911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.136911 (E_RNA)
where:
Base-Base interactions energy: -92.266
where: short stacking energy: -48.804
Base-Backbone interact. energy: -0.049
local terms energy: -56.821994
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -9.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -88.125215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.125215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.125215 (E_RNA)
where:
Base-Base interactions energy: -46.524
where: short stacking energy: -34.755
Base-Backbone interact. energy: -0.245
local terms energy: -41.356291
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -4.761
flat angles P-C4'-P energy: -8.383
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: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -89.549485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.549485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.549485 (E_RNA)
where:
Base-Base interactions energy: -42.070
where: short stacking energy: -41.858
Base-Backbone interact. energy: -0.316
local terms energy: -47.163366
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -2.156
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -238.612490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.612490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.612490 (E_RNA)
where:
Base-Base interactions energy: -161.059
where: short stacking energy: -59.148
Base-Backbone interact. energy: -0.102
local terms energy: -77.450917
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -207.230322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.230322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.230322 (E_RNA)
where:
Base-Base interactions energy: -130.405
where: short stacking energy: -67.471
Base-Backbone interact. energy: -0.122
local terms energy: -76.703343
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -13.580
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: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -215.018300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.018300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.018300 (E_RNA)
where:
Base-Base interactions energy: -149.593
where: short stacking energy: -76.575
Base-Backbone interact. energy: 0.494
local terms energy: -65.918790
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -8.409
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -7.656
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: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -203.780539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.780539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.780539 (E_RNA)
where:
Base-Base interactions energy: -127.310
where: short stacking energy: -53.813
Base-Backbone interact. energy: -1.869
local terms energy: -74.601912
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -17.274
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: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -175.891936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.891936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.891936 (E_RNA)
where:
Base-Base interactions energy: -109.013
where: short stacking energy: -58.724
Base-Backbone interact. energy: -0.050
local terms energy: -66.829014
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -11.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -110.191839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.191839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.191839 (E_RNA)
where:
Base-Base interactions energy: -46.857
where: short stacking energy: -45.007
Base-Backbone interact. energy: -0.005
local terms energy: -63.329976
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -9.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -111.781247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.781247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.781247 (E_RNA)
where:
Base-Base interactions energy: -50.617
where: short stacking energy: -36.352
Base-Backbone interact. energy: 0.231
local terms energy: -61.394930
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -162.011025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.011025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.011025 (E_RNA)
where:
Base-Base interactions energy: -102.413
where: short stacking energy: -49.029
Base-Backbone interact. energy: -0.061
local terms energy: -59.536473
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -81.261170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.261170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.261170 (E_RNA)
where:
Base-Base interactions energy: -32.100
where: short stacking energy: -24.237
Base-Backbone interact. energy: -0.279
local terms energy: -48.882720
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -3.557
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: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -80.786476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.786476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.786476 (E_RNA)
where:
Base-Base interactions energy: -31.929
where: short stacking energy: -31.929
Base-Backbone interact. energy: -0.293
local terms energy: -48.565317
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -214.778086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.778086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.778086 (E_RNA)
where:
Base-Base interactions energy: -140.773
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.047
local terms energy: -73.958297
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -237.391327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.391327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.391327 (E_RNA)
where:
Base-Base interactions energy: -162.628
where: short stacking energy: -67.134
Base-Backbone interact. energy: -0.379
local terms energy: -74.383824
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -10.404
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: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -215.407877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.407877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.407877 (E_RNA)
where:
Base-Base interactions energy: -141.320
where: short stacking energy: -75.010
Base-Backbone interact. energy: -0.604
local terms energy: -73.483711
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -201.112345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.112345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.112345 (E_RNA)
where:
Base-Base interactions energy: -131.822
where: short stacking energy: -61.002
Base-Backbone interact. energy: -0.756
local terms energy: -68.534991
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -15.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -190.714708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.714708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.714708 (E_RNA)
where:
Base-Base interactions energy: -113.521
where: short stacking energy: -65.861
Base-Backbone interact. energy: -0.090
local terms energy: -77.103752
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -20.916
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: 128
Temperature: 1.150000
Total energy: -110.907727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.907727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.907727 (E_RNA)
where:
Base-Base interactions energy: -51.954
where: short stacking energy: -49.573
Base-Backbone interact. energy: -0.011
local terms energy: -58.942499
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -9.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -178.974890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.974890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.974890 (E_RNA)
where:
Base-Base interactions energy: -109.924
where: short stacking energy: -56.470
Base-Backbone interact. energy: 1.983
local terms energy: -71.033416
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -8.891
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: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -89.200050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.200050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.200050 (E_RNA)
where:
Base-Base interactions energy: -36.187
where: short stacking energy: -28.827
Base-Backbone interact. energy: -0.143
local terms energy: -52.869632
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -85.070721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.070721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.070721 (E_RNA)
where:
Base-Base interactions energy: -38.564
where: short stacking energy: -37.094
Base-Backbone interact. energy: -0.165
local terms energy: -46.341684
where:
bonds (distance) C4'-P energy: -5.152
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -2.424
tors. eta vs tors. theta energy: -12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -77.652547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.652547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.652547 (E_RNA)
where:
Base-Base interactions energy: -31.445
where: short stacking energy: -24.201
Base-Backbone interact. energy: -0.231
local terms energy: -45.976836
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -222.228817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.228817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.228817 (E_RNA)
where:
Base-Base interactions energy: -143.427
where: short stacking energy: -71.586
Base-Backbone interact. energy: -0.119
local terms energy: -78.682406
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -235.855825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.855825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.855825 (E_RNA)
where:
Base-Base interactions energy: -159.474
where: short stacking energy: -63.042
Base-Backbone interact. energy: -0.125
local terms energy: -76.256649
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -221.252485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.252485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.252485 (E_RNA)
where:
Base-Base interactions energy: -146.567
where: short stacking energy: -63.019
Base-Backbone interact. energy: -0.328
local terms energy: -74.357379
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -193.687125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.687125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.687125 (E_RNA)
where:
Base-Base interactions energy: -125.432
where: short stacking energy: -64.324
Base-Backbone interact. energy: -0.540
local terms energy: -67.715501
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -196.185127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.185127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.185127 (E_RNA)
where:
Base-Base interactions energy: -124.291
where: short stacking energy: -50.765
Base-Backbone interact. energy: -1.346
local terms energy: -70.548183
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -188.062770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.062770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.062770 (E_RNA)
where:
Base-Base interactions energy: -120.228
where: short stacking energy: -65.699
Base-Backbone interact. energy: -0.168
local terms energy: -67.667245
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -114.429095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.429095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.429095 (E_RNA)
where:
Base-Base interactions energy: -56.874
where: short stacking energy: -42.917
Base-Backbone interact. energy: -0.002
local terms energy: -57.553011
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -92.611178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.611178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.611178 (E_RNA)
where:
Base-Base interactions energy: -37.074
where: short stacking energy: -37.074
Base-Backbone interact. energy: -0.005
local terms energy: -55.531858
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -88.551235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.551235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.551235 (E_RNA)
where:
Base-Base interactions energy: -41.791
where: short stacking energy: -19.909
Base-Backbone interact. energy: -0.155
local terms energy: -46.604412
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -85.316698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.316698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.316698 (E_RNA)
where:
Base-Base interactions energy: -32.069
where: short stacking energy: -31.300
Base-Backbone interact. energy: -0.031
local terms energy: -53.216888
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -231.038372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.038372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.038372 (E_RNA)
where:
Base-Base interactions energy: -154.694
where: short stacking energy: -61.864
Base-Backbone interact. energy: -0.098
local terms energy: -76.246328
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -224.193400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.193400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.193400 (E_RNA)
where:
Base-Base interactions energy: -145.079
where: short stacking energy: -71.377
Base-Backbone interact. energy: -0.095
local terms energy: -79.019153
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -18.440
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: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -200.410871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.410871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.410871 (E_RNA)
where:
Base-Base interactions energy: -134.439
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.669
local terms energy: -65.302487
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -7.542
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -199.832106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.832106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.832106 (E_RNA)
where:
Base-Base interactions energy: -125.660
where: short stacking energy: -64.503
Base-Backbone interact. energy: -0.438
local terms energy: -73.734223
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -10.282
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: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -162.674030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.674030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.674030 (E_RNA)
where:
Base-Base interactions energy: -97.105
where: short stacking energy: -50.249
Base-Backbone interact. energy: -0.899
local terms energy: -64.669668
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -172.411516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.411516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.411516 (E_RNA)
where:
Base-Base interactions energy: -108.170
where: short stacking energy: -54.148
Base-Backbone interact. energy: -0.026
local terms energy: -64.216271
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -8.104
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: 7, replica: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -99.913689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.913689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.913689 (E_RNA)
where:
Base-Base interactions energy: -45.425
where: short stacking energy: -39.639
Base-Backbone interact. energy: -0.115
local terms energy: -54.373258
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -9.036
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: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -97.811079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.811079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.811079 (E_RNA)
where:
Base-Base interactions energy: -45.223
where: short stacking energy: -45.223
Base-Backbone interact. energy: -0.170
local terms energy: -52.417924
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -1.972
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: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -84.959037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.959037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.959037 (E_RNA)
where:
Base-Base interactions energy: -38.868
where: short stacking energy: -28.058
Base-Backbone interact. energy: -0.207
local terms energy: -45.883841
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -85.250173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.250173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.250173 (E_RNA)
where:
Base-Base interactions energy: -33.807
where: short stacking energy: -33.501
Base-Backbone interact. energy: -0.352
local terms energy: -51.091778
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -238.639629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.639629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.639629 (E_RNA)
where:
Base-Base interactions energy: -158.712
where: short stacking energy: -62.444
Base-Backbone interact. energy: -0.628
local terms energy: -79.299164
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -220.179261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.179261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.179261 (E_RNA)
where:
Base-Base interactions energy: -142.765
where: short stacking energy: -74.627
Base-Backbone interact. energy: -0.013
local terms energy: -77.401207
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -10.730
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -213.403744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.403744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.403744 (E_RNA)
where:
Base-Base interactions energy: -137.848
where: short stacking energy: -68.651
Base-Backbone interact. energy: -0.773
local terms energy: -74.782731
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -16.700
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: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -197.680989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.680989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.680989 (E_RNA)
where:
Base-Base interactions energy: -132.225
where: short stacking energy: -63.140
Base-Backbone interact. energy: -0.060
local terms energy: -65.395664
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -3.577
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: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -170.240134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.240134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.240134 (E_RNA)
where:
Base-Base interactions energy: -104.547
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.042
local terms energy: -65.650549
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -11.722
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: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -153.599621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.599621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.599621 (E_RNA)
where:
Base-Base interactions energy: -92.884
where: short stacking energy: -52.577
Base-Backbone interact. energy: -0.124
local terms energy: -60.592046
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -8.294
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: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -103.169465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.169465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.169465 (E_RNA)
where:
Base-Base interactions energy: -34.657
where: short stacking energy: -34.657
Base-Backbone interact. energy: -1.073
local terms energy: -67.439970
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -89.692081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.692081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.692081 (E_RNA)
where:
Base-Base interactions energy: -38.493
where: short stacking energy: -26.354
Base-Backbone interact. energy: 0.018
local terms energy: -51.216815
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -91.169284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.169284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.169284 (E_RNA)
where:
Base-Base interactions energy: -33.778
where: short stacking energy: -29.423
Base-Backbone interact. energy: -0.198
local terms energy: -57.193347
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -84.739595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.739595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.739595 (E_RNA)
where:
Base-Base interactions energy: -34.675
where: short stacking energy: -27.674
Base-Backbone interact. energy: -0.981
local terms energy: -49.083373
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -9.111
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -229.946703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.946703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.946703 (E_RNA)
where:
Base-Base interactions energy: -148.423
where: short stacking energy: -76.378
Base-Backbone interact. energy: -1.059
local terms energy: -80.464851
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -19.542
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: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -232.307146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.307146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.307146 (E_RNA)
where:
Base-Base interactions energy: -151.271
where: short stacking energy: -59.826
Base-Backbone interact. energy: -0.227
local terms energy: -80.808635
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -17.081
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: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -214.463662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.463662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.463662 (E_RNA)
where:
Base-Base interactions energy: -143.661
where: short stacking energy: -77.338
Base-Backbone interact. energy: -0.321
local terms energy: -70.481609
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -207.688215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.688215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.688215 (E_RNA)
where:
Base-Base interactions energy: -139.183
where: short stacking energy: -61.491
Base-Backbone interact. energy: -0.487
local terms energy: -68.018121
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -160.160317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.160317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.160317 (E_RNA)
where:
Base-Base interactions energy: -89.249
where: short stacking energy: -49.613
Base-Backbone interact. energy: -0.820
local terms energy: -70.090707
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -174.151970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.151970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.151970 (E_RNA)
where:
Base-Base interactions energy: -112.883
where: short stacking energy: -53.425
Base-Backbone interact. energy: -0.241
local terms energy: -61.027288
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -9.754
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: 132
Temperature: 1.200000
Total energy: -142.256950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.256950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.256950 (E_RNA)
where:
Base-Base interactions energy: -87.179
where: short stacking energy: -58.918
Base-Backbone interact. energy: -0.484
local terms energy: -54.594606
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -8.784
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: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -89.911911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.911911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.911911 (E_RNA)
where:
Base-Base interactions energy: -41.602
where: short stacking energy: -24.262
Base-Backbone interact. energy: 2.794
local terms energy: -51.104557
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -7.691
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: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -88.334752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.334752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.334752 (E_RNA)
where:
Base-Base interactions energy: -37.035
where: short stacking energy: -25.289
Base-Backbone interact. energy: -0.208
local terms energy: -51.092416
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: 1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -84.408574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.408574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.408574 (E_RNA)
where:
Base-Base interactions energy: -31.498
where: short stacking energy: -31.498
Base-Backbone interact. energy: -0.071
local terms energy: -52.839874
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: 3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -219.704263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.704263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.704263 (E_RNA)
where:
Base-Base interactions energy: -138.361
where: short stacking energy: -79.638
Base-Backbone interact. energy: -0.025
local terms energy: -81.318470
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -18.022
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: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -224.254292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.254292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.254292 (E_RNA)
where:
Base-Base interactions energy: -151.139
where: short stacking energy: -74.604
Base-Backbone interact. energy: -0.391
local terms energy: -72.725017
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -226.393281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.393281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.393281 (E_RNA)
where:
Base-Base interactions energy: -153.504
where: short stacking energy: -66.343
Base-Backbone interact. energy: -0.582
local terms energy: -72.307630
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -195.897515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.897515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.897515 (E_RNA)
where:
Base-Base interactions energy: -124.583
where: short stacking energy: -60.955
Base-Backbone interact. energy: -0.051
local terms energy: -71.263126
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -148.314862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.314862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.314862 (E_RNA)
where:
Base-Base interactions energy: -90.834
where: short stacking energy: -40.679
Base-Backbone interact. energy: -0.465
local terms energy: -57.016372
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -173.657258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.657258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.657258 (E_RNA)
where:
Base-Base interactions energy: -107.815
where: short stacking energy: -53.444
Base-Backbone interact. energy: -0.226
local terms energy: -65.616260
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -15.324
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: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -127.737193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.737193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.737193 (E_RNA)
where:
Base-Base interactions energy: -68.410
where: short stacking energy: -37.511
Base-Backbone interact. energy: -0.623
local terms energy: -58.703686
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -138.423798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.423798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.423798 (E_RNA)
where:
Base-Base interactions energy: -92.782
where: short stacking energy: -35.022
Base-Backbone interact. energy: -0.422
local terms energy: -45.219496
where:
bonds (distance) C4'-P energy: -7.701
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: 2.034
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -81.805704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.805704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.805704 (E_RNA)
where:
Base-Base interactions energy: -27.367
where: short stacking energy: -25.441
Base-Backbone interact. energy: -0.221
local terms energy: -54.217175
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -78.142994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.142994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.142994 (E_RNA)
where:
Base-Base interactions energy: -32.602
where: short stacking energy: -30.537
Base-Backbone interact. energy: -0.086
local terms energy: -45.454772
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -233.211286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.211286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.211286 (E_RNA)
where:
Base-Base interactions energy: -154.126
where: short stacking energy: -78.121
Base-Backbone interact. energy: -1.492
local terms energy: -77.593718
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -22.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -211.789110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.789110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.789110 (E_RNA)
where:
Base-Base interactions energy: -131.230
where: short stacking energy: -69.261
Base-Backbone interact. energy: -0.223
local terms energy: -80.335914
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -232.335059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.335059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.335059 (E_RNA)
where:
Base-Base interactions energy: -157.634
where: short stacking energy: -62.277
Base-Backbone interact. energy: -0.104
local terms energy: -74.596882
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -12.261
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: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -209.314672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.314672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.314672 (E_RNA)
where:
Base-Base interactions energy: -139.144
where: short stacking energy: -62.526
Base-Backbone interact. energy: -0.069
local terms energy: -70.101838
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -170.358764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.358764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.358764 (E_RNA)
where:
Base-Base interactions energy: -107.376
where: short stacking energy: -49.288
Base-Backbone interact. energy: -0.550
local terms energy: -62.433186
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -8.682
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: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -149.216452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.216452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.216452 (E_RNA)
where:
Base-Base interactions energy: -84.344
where: short stacking energy: -36.667
Base-Backbone interact. energy: -1.058
local terms energy: -63.814269
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -135.367410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.367410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.367410 (E_RNA)
where:
Base-Base interactions energy: -72.346
where: short stacking energy: -34.938
Base-Backbone interact. energy: -0.053
local terms energy: -62.968404
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -95.369622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.369622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.369622 (E_RNA)
where:
Base-Base interactions energy: -39.604
where: short stacking energy: -33.436
Base-Backbone interact. energy: -0.296
local terms energy: -55.469537
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -10.905
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: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -90.047280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.047280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.047280 (E_RNA)
where:
Base-Base interactions energy: -40.186
where: short stacking energy: -40.186
Base-Backbone interact. energy: -0.083
local terms energy: -49.778221
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -10.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -84.155229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.155229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.155229 (E_RNA)
where:
Base-Base interactions energy: -37.074
where: short stacking energy: -35.579
Base-Backbone interact. energy: 0.397
local terms energy: -47.478300
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: 0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -225.865271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.865271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.865271 (E_RNA)
where:
Base-Base interactions energy: -145.970
where: short stacking energy: -74.207
Base-Backbone interact. energy: -0.015
local terms energy: -79.879498
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -21.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -238.629498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.629498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.629498 (E_RNA)
where:
Base-Base interactions energy: -163.203
where: short stacking energy: -71.851
Base-Backbone interact. energy: -0.302
local terms energy: -75.125166
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -197.910895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.910895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.910895 (E_RNA)
where:
Base-Base interactions energy: -121.061
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.001
local terms energy: -76.848146
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -189.314594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.314594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.314594 (E_RNA)
where:
Base-Base interactions energy: -120.303
where: short stacking energy: -48.784
Base-Backbone interact. energy: -1.228
local terms energy: -67.783813
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -11.905
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: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -190.870075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.870075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.870075 (E_RNA)
where:
Base-Base interactions energy: -122.934
where: short stacking energy: -55.424
Base-Backbone interact. energy: -0.063
local terms energy: -67.873574
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -11.413
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: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -146.257821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.257821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.257821 (E_RNA)
where:
Base-Base interactions energy: -91.722
where: short stacking energy: -39.936
Base-Backbone interact. energy: -0.246
local terms energy: -54.290252
where:
bonds (distance) C4'-P energy: -6.396
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -96.660495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.660495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.660495 (E_RNA)
where:
Base-Base interactions energy: -32.854
where: short stacking energy: -28.100
Base-Backbone interact. energy: -0.163
local terms energy: -63.643184
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -87.468338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.468338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.468338 (E_RNA)
where:
Base-Base interactions energy: -32.470
where: short stacking energy: -29.718
Base-Backbone interact. energy: -0.038
local terms energy: -54.960713
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -89.580206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.580206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.580206 (E_RNA)
where:
Base-Base interactions energy: -29.711
where: short stacking energy: -29.711
Base-Backbone interact. energy: 0.140
local terms energy: -60.009978
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -6.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -87.072247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.072247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.072247 (E_RNA)
where:
Base-Base interactions energy: -37.030
where: short stacking energy: -34.921
Base-Backbone interact. energy: -0.097
local terms energy: -49.944682
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -8.333
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -234.282248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.282248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.282248 (E_RNA)
where:
Base-Base interactions energy: -158.019
where: short stacking energy: -68.233
Base-Backbone interact. energy: -0.658
local terms energy: -75.604937
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -226.207399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.207399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.207399 (E_RNA)
where:
Base-Base interactions energy: -139.494
where: short stacking energy: -69.342
Base-Backbone interact. energy: -0.417
local terms energy: -86.296961
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -22.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -195.483225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.483225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.483225 (E_RNA)
where:
Base-Base interactions energy: -121.987
where: short stacking energy: -51.018
Base-Backbone interact. energy: -0.410
local terms energy: -73.085605
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -203.324768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.324768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.324768 (E_RNA)
where:
Base-Base interactions energy: -132.971
where: short stacking energy: -54.269
Base-Backbone interact. energy: 0.535
local terms energy: -70.888526
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -185.291271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.291271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.291271 (E_RNA)
where:
Base-Base interactions energy: -122.315
where: short stacking energy: -67.020
Base-Backbone interact. energy: -0.251
local terms energy: -62.724552
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.279
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: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -153.754809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.754809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.754809 (E_RNA)
where:
Base-Base interactions energy: -93.514
where: short stacking energy: -44.655
Base-Backbone interact. energy: -0.113
local terms energy: -60.127652
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -9.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -96.797848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.797848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.797848 (E_RNA)
where:
Base-Base interactions energy: -41.939
where: short stacking energy: -36.814
Base-Backbone interact. energy: -0.664
local terms energy: -54.194748
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -98.910765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.910765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.910765 (E_RNA)
where:
Base-Base interactions energy: -38.511
where: short stacking energy: -26.914
Base-Backbone interact. energy: -0.746
local terms energy: -59.653981
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -4.705
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: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -121.085755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.085755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.085755 (E_RNA)
where:
Base-Base interactions energy: -62.514
where: short stacking energy: -26.976
Base-Backbone interact. energy: -0.315
local terms energy: -58.257095
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -82.723910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.723910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.723910 (E_RNA)
where:
Base-Base interactions energy: -27.337
where: short stacking energy: -26.056
Base-Backbone interact. energy: -0.406
local terms energy: -54.981006
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -212.151667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.151667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.151667 (E_RNA)
where:
Base-Base interactions energy: -139.326
where: short stacking energy: -60.378
Base-Backbone interact. energy: -0.479
local terms energy: -72.346658
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -225.049425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.049425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.049425 (E_RNA)
where:
Base-Base interactions energy: -139.962
where: short stacking energy: -73.798
Base-Backbone interact. energy: -1.782
local terms energy: -83.304736
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -19.286
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: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -189.668509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.668509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.668509 (E_RNA)
where:
Base-Base interactions energy: -123.288
where: short stacking energy: -59.592
Base-Backbone interact. energy: -0.028
local terms energy: -66.353032
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -200.392607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.392607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.392607 (E_RNA)
where:
Base-Base interactions energy: -127.365
where: short stacking energy: -61.303
Base-Backbone interact. energy: 0.265
local terms energy: -73.292274
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -202.504468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.504468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.504468 (E_RNA)
where:
Base-Base interactions energy: -132.859
where: short stacking energy: -69.899
Base-Backbone interact. energy: -0.001
local terms energy: -69.644955
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -21.097
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: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -139.173981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.173981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.173981 (E_RNA)
where:
Base-Base interactions energy: -79.502
where: short stacking energy: -49.277
Base-Backbone interact. energy: -0.080
local terms energy: -59.592243
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -96.550886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.550886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.550886 (E_RNA)
where:
Base-Base interactions energy: -45.426
where: short stacking energy: -37.047
Base-Backbone interact. energy: -0.028
local terms energy: -51.096192
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -8.187
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: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -95.586534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.586534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.586534 (E_RNA)
where:
Base-Base interactions energy: -37.934
where: short stacking energy: -33.794
Base-Backbone interact. energy: 1.752
local terms energy: -59.405239
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -80.871685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.871685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.871685 (E_RNA)
where:
Base-Base interactions energy: -30.445
where: short stacking energy: -24.287
Base-Backbone interact. energy: -0.410
local terms energy: -50.017132
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -11.930
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: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -85.228554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.228554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.228554 (E_RNA)
where:
Base-Base interactions energy: -34.780
where: short stacking energy: -34.780
Base-Backbone interact. energy: -0.028
local terms energy: -50.419858
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -5.227
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: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -213.288091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.288091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.288091 (E_RNA)
where:
Base-Base interactions energy: -143.042
where: short stacking energy: -64.728
Base-Backbone interact. energy: -0.103
local terms energy: -70.143324
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -233.899804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.899804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.899804 (E_RNA)
where:
Base-Base interactions energy: -149.149
where: short stacking energy: -73.277
Base-Backbone interact. energy: -2.089
local terms energy: -82.661777
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -22.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -233.997269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.997269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.997269 (E_RNA)
where:
Base-Base interactions energy: -162.411
where: short stacking energy: -69.030
Base-Backbone interact. energy: -1.243
local terms energy: -70.342643
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -4.970
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: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -198.544712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.544712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.544712 (E_RNA)
where:
Base-Base interactions energy: -131.000
where: short stacking energy: -66.954
Base-Backbone interact. energy: -1.128
local terms energy: -66.417086
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -10.871
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: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -164.689616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.689616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.689616 (E_RNA)
where:
Base-Base interactions energy: -108.425
where: short stacking energy: -40.323
Base-Backbone interact. energy: -0.403
local terms energy: -55.861848
where:
bonds (distance) C4'-P energy: -7.577
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -187.839778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.839778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.839778 (E_RNA)
where:
Base-Base interactions energy: -115.752
where: short stacking energy: -46.829
Base-Backbone interact. energy: -0.005
local terms energy: -72.083308
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -17.407
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: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -105.241218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.241218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.241218 (E_RNA)
where:
Base-Base interactions energy: -49.257
where: short stacking energy: -28.866
Base-Backbone interact. energy: -1.032
local terms energy: -54.952421
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -100.327816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.327816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.327816 (E_RNA)
where:
Base-Base interactions energy: -52.626
where: short stacking energy: -29.994
Base-Backbone interact. energy: -0.812
local terms energy: -46.890588
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -3.317
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -86.850111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.850111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.850111 (E_RNA)
where:
Base-Base interactions energy: -38.483
where: short stacking energy: -33.925
Base-Backbone interact. energy: -0.095
local terms energy: -48.272102
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -6.463
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -83.720579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.720579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.720579 (E_RNA)
where:
Base-Base interactions energy: -31.131
where: short stacking energy: -27.376
Base-Backbone interact. energy: -0.504
local terms energy: -52.085165
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: 1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -240.231381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.231381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.231381 (E_RNA)
where:
Base-Base interactions energy: -159.138
where: short stacking energy: -64.551
Base-Backbone interact. energy: -0.555
local terms energy: -80.538957
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -17.758
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: 2, replica: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -220.240706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.240706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.240706 (E_RNA)
where:
Base-Base interactions energy: -156.716
where: short stacking energy: -54.567
Base-Backbone interact. energy: -1.086
local terms energy: -62.438778
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -14.291
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: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -210.489051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.489051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.489051 (E_RNA)
where:
Base-Base interactions energy: -139.825
where: short stacking energy: -62.804
Base-Backbone interact. energy: -0.413
local terms energy: -70.251695
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -19.946
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: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -182.579876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.579876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.579876 (E_RNA)
where:
Base-Base interactions energy: -116.594
where: short stacking energy: -50.541
Base-Backbone interact. energy: -1.780
local terms energy: -64.205283
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -198.502847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.502847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.502847 (E_RNA)
where:
Base-Base interactions energy: -129.489
where: short stacking energy: -62.315
Base-Backbone interact. energy: -0.128
local terms energy: -68.885472
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -187.923087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.923087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.923087 (E_RNA)
where:
Base-Base interactions energy: -122.781
where: short stacking energy: -53.809
Base-Backbone interact. energy: -0.044
local terms energy: -65.098622
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -99.885523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.885523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.885523 (E_RNA)
where:
Base-Base interactions energy: -42.381
where: short stacking energy: -38.493
Base-Backbone interact. energy: -0.290
local terms energy: -57.213771
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -103.509060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.509060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.509060 (E_RNA)
where:
Base-Base interactions energy: -46.628
where: short stacking energy: -46.606
Base-Backbone interact. energy: -0.015
local terms energy: -56.866725
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -8.275
flat angles P-C4'-P energy: -8.391
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: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -92.844472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.844472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.844472 (E_RNA)
where:
Base-Base interactions energy: -35.223
where: short stacking energy: -29.571
Base-Backbone interact. energy: -2.323
local terms energy: -55.298200
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -89.673232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.673232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.673232 (E_RNA)
where:
Base-Base interactions energy: -40.945
where: short stacking energy: -33.448
Base-Backbone interact. energy: -0.005
local terms energy: -48.723551
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -9.143
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: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -239.151119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.151119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.151119 (E_RNA)
where:
Base-Base interactions energy: -162.676
where: short stacking energy: -72.224
Base-Backbone interact. energy: -0.229
local terms energy: -76.246093
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -218.264891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.264891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.264891 (E_RNA)
where:
Base-Base interactions energy: -152.947
where: short stacking energy: -55.249
Base-Backbone interact. energy: -0.511
local terms energy: -64.806246
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -199.169512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.169512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.169512 (E_RNA)
where:
Base-Base interactions energy: -118.482
where: short stacking energy: -64.896
Base-Backbone interact. energy: -0.606
local terms energy: -80.081101
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -205.149070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.149070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.149070 (E_RNA)
where:
Base-Base interactions energy: -132.619
where: short stacking energy: -64.193
Base-Backbone interact. energy: -1.163
local terms energy: -71.366791
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -16.100
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: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -182.259666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.259666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.259666 (E_RNA)
where:
Base-Base interactions energy: -114.945
where: short stacking energy: -61.061
Base-Backbone interact. energy: -0.036
local terms energy: -67.278825
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -11.874
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: 140
Temperature: 1.150000
Total energy: -193.901127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.901127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.901127 (E_RNA)
where:
Base-Base interactions energy: -120.949
where: short stacking energy: -68.767
Base-Backbone interact. energy: -0.052
local terms energy: -72.900496
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -107.095574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.095574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.095574 (E_RNA)
where:
Base-Base interactions energy: -50.195
where: short stacking energy: -50.195
Base-Backbone interact. energy: -0.196
local terms energy: -56.704347
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -10.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -84.726571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.726571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.726571 (E_RNA)
where:
Base-Base interactions energy: -31.232
where: short stacking energy: -25.066
Base-Backbone interact. energy: -0.116
local terms energy: -53.378706
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: 1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -92.170084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.170084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.170084 (E_RNA)
where:
Base-Base interactions energy: -39.207
where: short stacking energy: -31.721
Base-Backbone interact. energy: -0.108
local terms energy: -52.855231
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -5.852
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -103.080811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.080811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.080811 (E_RNA)
where:
Base-Base interactions energy: -47.144
where: short stacking energy: -37.291
Base-Backbone interact. energy: -0.032
local terms energy: -55.904334
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -9.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -239.210144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.210144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.210144 (E_RNA)
where:
Base-Base interactions energy: -164.062
where: short stacking energy: -66.967
Base-Backbone interact. energy: -0.142
local terms energy: -75.006243
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -20.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -221.816737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.816737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.816737 (E_RNA)
where:
Base-Base interactions energy: -140.529
where: short stacking energy: -65.808
Base-Backbone interact. energy: -0.507
local terms energy: -80.780792
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -220.385862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.385862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.385862 (E_RNA)
where:
Base-Base interactions energy: -142.039
where: short stacking energy: -69.612
Base-Backbone interact. energy: -0.014
local terms energy: -78.333182
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -212.112215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.112215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.112215 (E_RNA)
where:
Base-Base interactions energy: -143.545
where: short stacking energy: -61.040
Base-Backbone interact. energy: -0.044
local terms energy: -68.523042
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -15.331
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: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -152.841162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.841162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.841162 (E_RNA)
where:
Base-Base interactions energy: -85.310
where: short stacking energy: -45.912
Base-Backbone interact. energy: -0.125
local terms energy: -67.406229
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -10.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -195.241082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.241082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.241082 (E_RNA)
where:
Base-Base interactions energy: -115.339
where: short stacking energy: -59.342
Base-Backbone interact. energy: -0.012
local terms energy: -79.890530
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -95.111066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.111066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.111066 (E_RNA)
where:
Base-Base interactions energy: -41.662
where: short stacking energy: -35.972
Base-Backbone interact. energy: -0.075
local terms energy: -53.374261
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -91.387761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.387761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.387761 (E_RNA)
where:
Base-Base interactions energy: -39.997
where: short stacking energy: -30.706
Base-Backbone interact. energy: -0.294
local terms energy: -51.096828
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: 0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -94.908520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.908520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.908520 (E_RNA)
where:
Base-Base interactions energy: -36.654
where: short stacking energy: -36.654
Base-Backbone interact. energy: -0.044
local terms energy: -58.210628
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -86.161879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.161879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.161879 (E_RNA)
where:
Base-Base interactions energy: -37.623
where: short stacking energy: -37.623
Base-Backbone interact. energy: -0.327
local terms energy: -48.211828
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -2.837
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: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -229.643377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.643377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.643377 (E_RNA)
where:
Base-Base interactions energy: -143.831
where: short stacking energy: -73.261
Base-Backbone interact. energy: -0.915
local terms energy: -84.898089
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -20.477
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: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -240.489105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.489105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.489105 (E_RNA)
where:
Base-Base interactions energy: -164.620
where: short stacking energy: -72.396
Base-Backbone interact. energy: -0.512
local terms energy: -75.357334
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -17.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -201.199133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.199133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.199133 (E_RNA)
where:
Base-Base interactions energy: -127.130
where: short stacking energy: -59.560
Base-Backbone interact. energy: -0.361
local terms energy: -73.707504
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -211.471384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.471384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.471384 (E_RNA)
where:
Base-Base interactions energy: -139.641
where: short stacking energy: -57.379
Base-Backbone interact. energy: 0.897
local terms energy: -72.727798
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -8.864
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: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -199.613403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.613403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.613403 (E_RNA)
where:
Base-Base interactions energy: -136.314
where: short stacking energy: -62.499
Base-Backbone interact. energy: -0.092
local terms energy: -63.207332
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -159.204660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.204660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.204660 (E_RNA)
where:
Base-Base interactions energy: -99.989
where: short stacking energy: -48.426
Base-Backbone interact. energy: -0.380
local terms energy: -58.836230
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -136.371723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.371723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.371723 (E_RNA)
where:
Base-Base interactions energy: -77.272
where: short stacking energy: -36.161
Base-Backbone interact. energy: -1.386
local terms energy: -57.714226
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -8.038
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: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -84.514322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.514322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.514322 (E_RNA)
where:
Base-Base interactions energy: -29.506
where: short stacking energy: -19.849
Base-Backbone interact. energy: -0.003
local terms energy: -55.005695
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -99.300834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.300834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.300834 (E_RNA)
where:
Base-Base interactions energy: -51.381
where: short stacking energy: -22.538
Base-Backbone interact. energy: -0.096
local terms energy: -47.824051
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -8.887
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: 0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -91.913334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.913334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.913334 (E_RNA)
where:
Base-Base interactions energy: -41.904
where: short stacking energy: -25.962
Base-Backbone interact. energy: -0.661
local terms energy: -49.348355
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: 0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -223.546668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.546668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.546668 (E_RNA)
where:
Base-Base interactions energy: -141.185
where: short stacking energy: -69.828
Base-Backbone interact. energy: -0.737
local terms energy: -81.624741
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -21.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -230.269998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.269998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.269998 (E_RNA)
where:
Base-Base interactions energy: -151.920
where: short stacking energy: -69.386
Base-Backbone interact. energy: -0.030
local terms energy: -78.320168
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -11.642
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: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -210.513925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.513925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.513925 (E_RNA)
where:
Base-Base interactions energy: -133.459
where: short stacking energy: -68.321
Base-Backbone interact. energy: -0.311
local terms energy: -76.744503
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -8.629
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: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -204.281345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.281345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.281345 (E_RNA)
where:
Base-Base interactions energy: -137.317
where: short stacking energy: -58.933
Base-Backbone interact. energy: 0.065
local terms energy: -67.029139
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -196.851196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.851196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.851196 (E_RNA)
where:
Base-Base interactions energy: -128.530
where: short stacking energy: -56.781
Base-Backbone interact. energy: -1.262
local terms energy: -67.060015
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -161.664616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.664616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.664616 (E_RNA)
where:
Base-Base interactions energy: -97.077
where: short stacking energy: -45.588
Base-Backbone interact. energy: -0.252
local terms energy: -64.334890
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -7.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -112.569950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.569950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.569950 (E_RNA)
where:
Base-Base interactions energy: -60.157
where: short stacking energy: -22.217
Base-Backbone interact. energy: -0.054
local terms energy: -52.358855
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -7.731
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -99.432754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.432754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.432754 (E_RNA)
where:
Base-Base interactions energy: -51.480
where: short stacking energy: -39.354
Base-Backbone interact. energy: -0.057
local terms energy: -47.895926
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -7.845
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: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -82.365775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.365775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.365775 (E_RNA)
where:
Base-Base interactions energy: -33.328
where: short stacking energy: -19.884
Base-Backbone interact. energy: -0.116
local terms energy: -48.921666
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -79.491589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.491589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.491589 (E_RNA)
where:
Base-Base interactions energy: -33.007
where: short stacking energy: -33.007
Base-Backbone interact. energy: -0.136
local terms energy: -46.349173
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -10.034
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -227.867570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.867570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.867570 (E_RNA)
where:
Base-Base interactions energy: -146.219
where: short stacking energy: -73.804
Base-Backbone interact. energy: -0.785
local terms energy: -80.863658
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -21.391
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: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -236.672270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.672270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.672270 (E_RNA)
where:
Base-Base interactions energy: -158.774
where: short stacking energy: -68.518
Base-Backbone interact. energy: -0.406
local terms energy: -77.492876
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -19.154
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: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -194.199188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.199188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.199188 (E_RNA)
where:
Base-Base interactions energy: -127.206
where: short stacking energy: -71.971
Base-Backbone interact. energy: -0.085
local terms energy: -66.909007
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -12.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -212.010524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.010524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.010524 (E_RNA)
where:
Base-Base interactions energy: -135.610
where: short stacking energy: -64.636
Base-Backbone interact. energy: -0.044
local terms energy: -76.356741
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -19.549
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: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -187.458975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.458975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.458975 (E_RNA)
where:
Base-Base interactions energy: -120.593
where: short stacking energy: -60.426
Base-Backbone interact. energy: -0.263
local terms energy: -66.602784
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -168.484715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.484715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.484715 (E_RNA)
where:
Base-Base interactions energy: -104.633
where: short stacking energy: -47.323
Base-Backbone interact. energy: -0.599
local terms energy: -63.251834
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -10.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -122.064319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.064319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.064319 (E_RNA)
where:
Base-Base interactions energy: -70.281
where: short stacking energy: -43.265
Base-Backbone interact. energy: -0.313
local terms energy: -51.469797
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -165.252766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.252766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.252766 (E_RNA)
where:
Base-Base interactions energy: -106.109
where: short stacking energy: -42.383
Base-Backbone interact. energy: -0.094
local terms energy: -59.050168
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -83.172635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.172635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.172635 (E_RNA)
where:
Base-Base interactions energy: -39.119
where: short stacking energy: -27.803
Base-Backbone interact. energy: -0.440
local terms energy: -43.614083
where:
bonds (distance) C4'-P energy: -7.304
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -86.484808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.484808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.484808 (E_RNA)
where:
Base-Base interactions energy: -42.426
where: short stacking energy: -27.912
Base-Backbone interact. energy: -0.225
local terms energy: -43.834520
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -1.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -228.858326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.858326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.858326 (E_RNA)
where:
Base-Base interactions energy: -149.507
where: short stacking energy: -73.775
Base-Backbone interact. energy: -1.595
local terms energy: -77.756872
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -232.444925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.444925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.444925 (E_RNA)
where:
Base-Base interactions energy: -157.857
where: short stacking energy: -68.688
Base-Backbone interact. energy: -0.098
local terms energy: -74.489978
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -201.786889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.786889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.786889 (E_RNA)
where:
Base-Base interactions energy: -125.784
where: short stacking energy: -66.129
Base-Backbone interact. energy: -0.841
local terms energy: -75.161503
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -184.436358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.436358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.436358 (E_RNA)
where:
Base-Base interactions energy: -117.014
where: short stacking energy: -61.433
Base-Backbone interact. energy: -0.024
local terms energy: -67.397987
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -9.253
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -9.955
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: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -184.091179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.091179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.091179 (E_RNA)
where:
Base-Base interactions energy: -122.484
where: short stacking energy: -62.339
Base-Backbone interact. energy: -0.001
local terms energy: -61.605416
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -11.470
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: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -112.355350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.355350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.355350 (E_RNA)
where:
Base-Base interactions energy: -64.377
where: short stacking energy: -37.627
Base-Backbone interact. energy: -0.046
local terms energy: -47.932559
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -164.990949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.990949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.990949 (E_RNA)
where:
Base-Base interactions energy: -105.488
where: short stacking energy: -46.700
Base-Backbone interact. energy: -1.291
local terms energy: -58.211419
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -8.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -146.510677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.510677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.510677 (E_RNA)
where:
Base-Base interactions energy: -87.134
where: short stacking energy: -42.181
Base-Backbone interact. energy: 0.431
local terms energy: -59.808223
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -86.120483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.120483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.120483 (E_RNA)
where:
Base-Base interactions energy: -38.130
where: short stacking energy: -32.157
Base-Backbone interact. energy: -0.094
local terms energy: -47.896283
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: 0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -86.249389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.249389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.249389 (E_RNA)
where:
Base-Base interactions energy: -31.774
where: short stacking energy: -31.774
Base-Backbone interact. energy: 0.303
local terms energy: -54.778826
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -229.235824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.235824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.235824 (E_RNA)
where:
Base-Base interactions energy: -144.984
where: short stacking energy: -70.481
Base-Backbone interact. energy: -1.366
local terms energy: -82.885659
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -20.749
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: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -213.869396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.869396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.869396 (E_RNA)
where:
Base-Base interactions energy: -146.590
where: short stacking energy: -61.097
Base-Backbone interact. energy: -0.351
local terms energy: -66.928426
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -194.076667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.076667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.076667 (E_RNA)
where:
Base-Base interactions energy: -119.132
where: short stacking energy: -65.100
Base-Backbone interact. energy: -0.068
local terms energy: -74.876989
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -17.547
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: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -192.786803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.786803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.786803 (E_RNA)
where:
Base-Base interactions energy: -126.931
where: short stacking energy: -61.188
Base-Backbone interact. energy: -0.071
local terms energy: -65.784750
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -14.728
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: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -111.717858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.717858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.717858 (E_RNA)
where:
Base-Base interactions energy: -47.707
where: short stacking energy: -37.573
Base-Backbone interact. energy: -0.007
local terms energy: -64.004075
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -177.386519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.386519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.386519 (E_RNA)
where:
Base-Base interactions energy: -110.823
where: short stacking energy: -56.586
Base-Backbone interact. energy: 1.410
local terms energy: -67.973332
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -162.826891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.826891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.826891 (E_RNA)
where:
Base-Base interactions energy: -102.971
where: short stacking energy: -40.961
Base-Backbone interact. energy: -0.442
local terms energy: -59.414206
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -15.154
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: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -152.284942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.284942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.284942 (E_RNA)
where:
Base-Base interactions energy: -90.729
where: short stacking energy: -43.932
Base-Backbone interact. energy: -0.736
local terms energy: -60.819530
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -80.627353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.627353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.627353 (E_RNA)
where:
Base-Base interactions energy: -33.908
where: short stacking energy: -25.395
Base-Backbone interact. energy: -0.281
local terms energy: -46.438148
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -87.265843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.265843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.265843 (E_RNA)
where:
Base-Base interactions energy: -40.779
where: short stacking energy: -40.086
Base-Backbone interact. energy: -0.042
local terms energy: -46.444784
where:
bonds (distance) C4'-P energy: -7.979
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -9.621
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: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -233.454366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.454366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.454366 (E_RNA)
where:
Base-Base interactions energy: -148.142
where: short stacking energy: -77.986
Base-Backbone interact. energy: -0.001
local terms energy: -85.312077
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -23.646
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: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -217.531447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.531447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.531447 (E_RNA)
where:
Base-Base interactions energy: -150.156
where: short stacking energy: -56.243
Base-Backbone interact. energy: -0.510
local terms energy: -66.865360
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -11.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -209.969341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.969341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.969341 (E_RNA)
where:
Base-Base interactions energy: -139.052
where: short stacking energy: -68.272
Base-Backbone interact. energy: -0.005
local terms energy: -70.911956
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -195.413444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.413444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.413444 (E_RNA)
where:
Base-Base interactions energy: -128.035
where: short stacking energy: -67.926
Base-Backbone interact. energy: -0.205
local terms energy: -67.173592
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -15.210
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: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -102.375099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.375099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.375099 (E_RNA)
where:
Base-Base interactions energy: -45.441
where: short stacking energy: -31.664
Base-Backbone interact. energy: -0.821
local terms energy: -56.113063
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -3.194
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -181.478843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.478843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.478843 (E_RNA)
where:
Base-Base interactions energy: -119.676
where: short stacking energy: -48.016
Base-Backbone interact. energy: -0.210
local terms energy: -61.592900
where:
bonds (distance) C4'-P energy: -8.608
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -192.702568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.702568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.702568 (E_RNA)
where:
Base-Base interactions energy: -122.541
where: short stacking energy: -72.029
Base-Backbone interact. energy: -0.108
local terms energy: -70.053291
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -111.732828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.732828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.732828 (E_RNA)
where:
Base-Base interactions energy: -59.589
where: short stacking energy: -32.614
Base-Backbone interact. energy: -0.054
local terms energy: -52.089534
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -90.005581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.005581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.005581 (E_RNA)
where:
Base-Base interactions energy: -42.059
where: short stacking energy: -26.184
Base-Backbone interact. energy: -1.263
local terms energy: -46.683387
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: 0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -77.229399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.229399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.229399 (E_RNA)
where:
Base-Base interactions energy: -29.932
where: short stacking energy: -29.932
Base-Backbone interact. energy: 0.695
local terms energy: -47.992142
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -235.170491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.170491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.170491 (E_RNA)
where:
Base-Base interactions energy: -159.369
where: short stacking energy: -63.909
Base-Backbone interact. energy: -0.063
local terms energy: -75.738557
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -12.411
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: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -210.305742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.305742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.305742 (E_RNA)
where:
Base-Base interactions energy: -135.294
where: short stacking energy: -71.036
Base-Backbone interact. energy: -0.247
local terms energy: -74.764404
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -222.424981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.424981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.424981 (E_RNA)
where:
Base-Base interactions energy: -145.724
where: short stacking energy: -76.165
Base-Backbone interact. energy: -0.612
local terms energy: -76.089268
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -21.386
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: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -215.533379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.533379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.533379 (E_RNA)
where:
Base-Base interactions energy: -147.576
where: short stacking energy: -68.055
Base-Backbone interact. energy: 0.006
local terms energy: -67.963756
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -16.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -164.481365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.481365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.481365 (E_RNA)
where:
Base-Base interactions energy: -106.319
where: short stacking energy: -50.172
Base-Backbone interact. energy: -1.446
local terms energy: -56.716549
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -106.796539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.796539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.796539 (E_RNA)
where:
Base-Base interactions energy: -46.724
where: short stacking energy: -46.724
Base-Backbone interact. energy: -0.052
local terms energy: -60.020361
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -7.020
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: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -189.315088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.315088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.315088 (E_RNA)
where:
Base-Base interactions energy: -121.663
where: short stacking energy: -63.194
Base-Backbone interact. energy: -0.037
local terms energy: -67.615814
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -15.976
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: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -94.196398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.196398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.196398 (E_RNA)
where:
Base-Base interactions energy: -41.356
where: short stacking energy: -24.919
Base-Backbone interact. energy: -0.298
local terms energy: -52.542786
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -101.443769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.443769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.443769 (E_RNA)
where:
Base-Base interactions energy: -38.030
where: short stacking energy: -32.528
Base-Backbone interact. energy: -0.112
local terms energy: -63.302212
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -8.736
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: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -85.455505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.455505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.455505 (E_RNA)
where:
Base-Base interactions energy: -33.401
where: short stacking energy: -25.118
Base-Backbone interact. energy: -0.112
local terms energy: -51.943017
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: 2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -243.805687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.805687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.805687 (E_RNA)
where:
Base-Base interactions energy: -166.733
where: short stacking energy: -70.133
Base-Backbone interact. energy: -0.004
local terms energy: -77.069164
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -210.305717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.305717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.305717 (E_RNA)
where:
Base-Base interactions energy: -127.452
where: short stacking energy: -62.255
Base-Backbone interact. energy: -0.020
local terms energy: -82.834123
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -20.978
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: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -212.088454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.088454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.088454 (E_RNA)
where:
Base-Base interactions energy: -136.461
where: short stacking energy: -62.931
Base-Backbone interact. energy: -1.397
local terms energy: -74.230629
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -11.425
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: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -207.797886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.797886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.797886 (E_RNA)
where:
Base-Base interactions energy: -131.257
where: short stacking energy: -67.485
Base-Backbone interact. energy: -0.149
local terms energy: -76.391711
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -152.029313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.029313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.029313 (E_RNA)
where:
Base-Base interactions energy: -95.870
where: short stacking energy: -36.820
Base-Backbone interact. energy: -2.575
local terms energy: -53.584581
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -160.461460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.461460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.461460 (E_RNA)
where:
Base-Base interactions energy: -99.490
where: short stacking energy: -48.032
Base-Backbone interact. energy: -0.296
local terms energy: -60.675334
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -98.130901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.130901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.130901 (E_RNA)
where:
Base-Base interactions energy: -40.536
where: short stacking energy: -28.711
Base-Backbone interact. energy: -0.582
local terms energy: -57.013407
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -95.891116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.891116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.891116 (E_RNA)
where:
Base-Base interactions energy: -34.776
where: short stacking energy: -34.776
Base-Backbone interact. energy: -0.101
local terms energy: -61.013864
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -7.111
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: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -90.342210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.342210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.342210 (E_RNA)
where:
Base-Base interactions energy: -40.730
where: short stacking energy: -27.634
Base-Backbone interact. energy: -0.216
local terms energy: -49.396839
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -8.161
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -95.569067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.569067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.569067 (E_RNA)
where:
Base-Base interactions energy: -40.219
where: short stacking energy: -21.840
Base-Backbone interact. energy: -0.624
local terms energy: -54.725642
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -8.551
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: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -238.797001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.797001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.797001 (E_RNA)
where:
Base-Base interactions energy: -168.057
where: short stacking energy: -76.706
Base-Backbone interact. energy: -0.003
local terms energy: -70.737272
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -19.959
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: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -243.250745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.250745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.250745 (E_RNA)
where:
Base-Base interactions energy: -161.454
where: short stacking energy: -74.847
Base-Backbone interact. energy: -0.001
local terms energy: -81.795796
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -218.886203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.886203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.886203 (E_RNA)
where:
Base-Base interactions energy: -145.862
where: short stacking energy: -63.889
Base-Backbone interact. energy: -0.752
local terms energy: -72.272220
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -203.733068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.733068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.733068 (E_RNA)
where:
Base-Base interactions energy: -133.751
where: short stacking energy: -61.745
Base-Backbone interact. energy: -0.211
local terms energy: -69.770917
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -166.964500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.964500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.964500 (E_RNA)
where:
Base-Base interactions energy: -109.653
where: short stacking energy: -54.440
Base-Backbone interact. energy: -0.220
local terms energy: -57.091379
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -153.584416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.584416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.584416 (E_RNA)
where:
Base-Base interactions energy: -87.367
where: short stacking energy: -42.802
Base-Backbone interact. energy: -0.156
local terms energy: -66.061241
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -9.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -92.608613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.608613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.608613 (E_RNA)
where:
Base-Base interactions energy: -39.986
where: short stacking energy: -34.902
Base-Backbone interact. energy: -0.020
local terms energy: -52.602678
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -96.228940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.228940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.228940 (E_RNA)
where:
Base-Base interactions energy: -53.537
where: short stacking energy: -51.645
Base-Backbone interact. energy: -0.135
local terms energy: -42.556728
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -2.272
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -89.731216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.731216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.731216 (E_RNA)
where:
Base-Base interactions energy: -44.958
where: short stacking energy: -25.275
Base-Backbone interact. energy: -0.149
local terms energy: -44.623931
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -9.438
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -82.023765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.023765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.023765 (E_RNA)
where:
Base-Base interactions energy: -38.260
where: short stacking energy: -28.566
Base-Backbone interact. energy: 1.769
local terms energy: -45.532631
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -244.875094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.875094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.875094 (E_RNA)
where:
Base-Base interactions energy: -163.322
where: short stacking energy: -72.471
Base-Backbone interact. energy: -0.281
local terms energy: -81.271808
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -10.686
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: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -204.842147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.842147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.842147 (E_RNA)
where:
Base-Base interactions energy: -133.132
where: short stacking energy: -62.210
Base-Backbone interact. energy: -0.103
local terms energy: -71.606950
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -241.048520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.048520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.048520 (E_RNA)
where:
Base-Base interactions energy: -155.970
where: short stacking energy: -71.480
Base-Backbone interact. energy: -0.001
local terms energy: -85.077359
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -12.804
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: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -176.072382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.072382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.072382 (E_RNA)
where:
Base-Base interactions energy: -107.902
where: short stacking energy: -44.851
Base-Backbone interact. energy: -0.314
local terms energy: -67.856103
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -195.841011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.841011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.841011 (E_RNA)
where:
Base-Base interactions energy: -128.949
where: short stacking energy: -65.240
Base-Backbone interact. energy: 0.598
local terms energy: -67.490803
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -5.943
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: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -181.105522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.105522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.105522 (E_RNA)
where:
Base-Base interactions energy: -115.807
where: short stacking energy: -55.738
Base-Backbone interact. energy: -0.639
local terms energy: -64.659554
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -98.976695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.976695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.976695 (E_RNA)
where:
Base-Base interactions energy: -41.482
where: short stacking energy: -35.590
Base-Backbone interact. energy: -0.702
local terms energy: -56.793252
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -94.160618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.160618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.160618 (E_RNA)
where:
Base-Base interactions energy: -37.308
where: short stacking energy: -26.095
Base-Backbone interact. energy: -1.702
local terms energy: -55.150040
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -82.778038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.778038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.778038 (E_RNA)
where:
Base-Base interactions energy: -29.615
where: short stacking energy: -26.979
Base-Backbone interact. energy: -0.074
local terms energy: -53.089461
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: 0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -87.335495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.335495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.335495 (E_RNA)
where:
Base-Base interactions energy: -31.976
where: short stacking energy: -31.976
Base-Backbone interact. energy: -0.118
local terms energy: -55.241612
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -1.298
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: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -232.814354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.814354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.814354 (E_RNA)
where:
Base-Base interactions energy: -154.456
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.183
local terms energy: -78.175196
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -218.613726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.613726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.613726 (E_RNA)
where:
Base-Base interactions energy: -141.181
where: short stacking energy: -62.665
Base-Backbone interact. energy: -0.102
local terms energy: -77.330687
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -228.738374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.738374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.738374 (E_RNA)
where:
Base-Base interactions energy: -149.813
where: short stacking energy: -79.685
Base-Backbone interact. energy: -0.305
local terms energy: -78.620386
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -23.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -169.319406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.319406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.319406 (E_RNA)
where:
Base-Base interactions energy: -108.100
where: short stacking energy: -39.039
Base-Backbone interact. energy: -0.562
local terms energy: -60.657564
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -10.045
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: 5, replica: 8
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -179.407468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.407468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.407468 (E_RNA)
where:
Base-Base interactions energy: -113.645
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.048
local terms energy: -65.714748
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -180.338999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.338999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.338999 (E_RNA)
where:
Base-Base interactions energy: -109.180
where: short stacking energy: -56.259
Base-Backbone interact. energy: -1.060
local terms energy: -70.099203
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -14.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -108.986393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.986393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.986393 (E_RNA)
where:
Base-Base interactions energy: -59.503
where: short stacking energy: -34.962
Base-Backbone interact. energy: 0.343
local terms energy: -49.826087
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -0.830
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: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -93.464485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.464485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.464485 (E_RNA)
where:
Base-Base interactions energy: -38.014
where: short stacking energy: -26.194
Base-Backbone interact. energy: -0.401
local terms energy: -55.050087
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -2.235
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: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -87.671177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.671177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.671177 (E_RNA)
where:
Base-Base interactions energy: -36.335
where: short stacking energy: -31.429
Base-Backbone interact. energy: -0.167
local terms energy: -51.168911
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -3.161
tors. eta vs tors. theta energy: -2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -89.884736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.884736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.884736 (E_RNA)
where:
Base-Base interactions energy: -35.639
where: short stacking energy: -34.227
Base-Backbone interact. energy: -0.048
local terms energy: -54.197345
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -3.868
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -238.677435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.677435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.677435 (E_RNA)
where:
Base-Base interactions energy: -162.585
where: short stacking energy: -69.485
Base-Backbone interact. energy: -0.076
local terms energy: -76.016055
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.301
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: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -219.913653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.913653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.913653 (E_RNA)
where:
Base-Base interactions energy: -143.289
where: short stacking energy: -74.911
Base-Backbone interact. energy: -0.123
local terms energy: -76.501350
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -9.030
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: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -201.281408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.281408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.281408 (E_RNA)
where:
Base-Base interactions energy: -134.939
where: short stacking energy: -62.462
Base-Backbone interact. energy: -0.112
local terms energy: -66.230758
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -8.144
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: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -184.615679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.615679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.615679 (E_RNA)
where:
Base-Base interactions energy: -113.447
where: short stacking energy: -69.260
Base-Backbone interact. energy: -0.096
local terms energy: -71.072570
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -10.565
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: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -178.547856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.547856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.547856 (E_RNA)
where:
Base-Base interactions energy: -109.455
where: short stacking energy: -50.759
Base-Backbone interact. energy: -0.492
local terms energy: -68.601038
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -10.462
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: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -173.583254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.583254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.583254 (E_RNA)
where:
Base-Base interactions energy: -104.980
where: short stacking energy: -48.642
Base-Backbone interact. energy: -2.232
local terms energy: -66.370926
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -13.708
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: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -95.589266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.589266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.589266 (E_RNA)
where:
Base-Base interactions energy: -36.897
where: short stacking energy: -32.120
Base-Backbone interact. energy: 0.392
local terms energy: -59.084715
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -98.561021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.561021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.561021 (E_RNA)
where:
Base-Base interactions energy: -36.522
where: short stacking energy: -33.399
Base-Backbone interact. energy: -0.021
local terms energy: -62.017226
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -87.245636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.245636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.245636 (E_RNA)
where:
Base-Base interactions energy: -25.983
where: short stacking energy: -24.338
Base-Backbone interact. energy: 0.067
local terms energy: -61.329931
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -80.820714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.820714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.820714 (E_RNA)
where:
Base-Base interactions energy: -29.840
where: short stacking energy: -28.950
Base-Backbone interact. energy: 1.945
local terms energy: -52.925025
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -9.207
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: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -240.948939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.948939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.948939 (E_RNA)
where:
Base-Base interactions energy: -158.476
where: short stacking energy: -65.854
Base-Backbone interact. energy: -0.850
local terms energy: -81.622783
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -220.211890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.211890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.211890 (E_RNA)
where:
Base-Base interactions energy: -141.670
where: short stacking energy: -72.362
Base-Backbone interact. energy: -0.001
local terms energy: -78.540759
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -21.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -207.932901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.932901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.932901 (E_RNA)
where:
Base-Base interactions energy: -143.126
where: short stacking energy: -65.268
Base-Backbone interact. energy: 0.617
local terms energy: -65.423641
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -187.983480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.983480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.983480 (E_RNA)
where:
Base-Base interactions energy: -106.738
where: short stacking energy: -60.067
Base-Backbone interact. energy: -0.298
local terms energy: -80.947262
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -15.738
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: 154
Temperature: 1.100000
Total energy: -180.028018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.028018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.028018 (E_RNA)
where:
Base-Base interactions energy: -109.205
where: short stacking energy: -55.599
Base-Backbone interact. energy: -1.021
local terms energy: -69.802447
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -162.328929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.328929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.328929 (E_RNA)
where:
Base-Base interactions energy: -104.230
where: short stacking energy: -49.292
Base-Backbone interact. energy: -0.125
local terms energy: -57.973445
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -108.397948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.397948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.397948 (E_RNA)
where:
Base-Base interactions energy: -44.776
where: short stacking energy: -40.244
Base-Backbone interact. energy: -0.150
local terms energy: -63.472031
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -11.373
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: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -122.938365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.938365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.938365 (E_RNA)
where:
Base-Base interactions energy: -70.198
where: short stacking energy: -33.665
Base-Backbone interact. energy: -0.069
local terms energy: -52.671271
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -1.488
tors. eta vs tors. theta energy: -9.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -84.095431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.095431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.095431 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -30.901
Base-Backbone interact. energy: -0.073
local terms energy: -49.013759
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: 0.806
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: 154
Temperature: 1.350000
Total energy: -97.663157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.663157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.663157 (E_RNA)
where:
Base-Base interactions energy: -41.463
where: short stacking energy: -33.435
Base-Backbone interact. energy: -0.325
local terms energy: -55.875880
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -241.611744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.611744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.611744 (E_RNA)
where:
Base-Base interactions energy: -158.225
where: short stacking energy: -68.573
Base-Backbone interact. energy: -0.073
local terms energy: -83.314462
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -221.686072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.686072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.686072 (E_RNA)
where:
Base-Base interactions energy: -138.699
where: short stacking energy: -72.103
Base-Backbone interact. energy: -0.907
local terms energy: -82.079675
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -204.523903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.523903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.523903 (E_RNA)
where:
Base-Base interactions energy: -131.994
where: short stacking energy: -57.758
Base-Backbone interact. energy: -0.167
local terms energy: -72.362536
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -197.357491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.357491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.357491 (E_RNA)
where:
Base-Base interactions energy: -125.288
where: short stacking energy: -60.717
Base-Backbone interact. energy: 0.405
local terms energy: -72.474625
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -181.235388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.235388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.235388 (E_RNA)
where:
Base-Base interactions energy: -104.050
where: short stacking energy: -53.150
Base-Backbone interact. energy: 0.663
local terms energy: -77.848405
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -16.587
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: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -152.792244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.792244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.792244 (E_RNA)
where:
Base-Base interactions energy: -96.416
where: short stacking energy: -51.001
Base-Backbone interact. energy: 0.329
local terms energy: -56.704907
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -10.276
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: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -134.088113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.088113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.088113 (E_RNA)
where:
Base-Base interactions energy: -70.644
where: short stacking energy: -43.764
Base-Backbone interact. energy: -0.027
local terms energy: -63.417291
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -110.490246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.490246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.490246 (E_RNA)
where:
Base-Base interactions energy: -60.174
where: short stacking energy: -19.932
Base-Backbone interact. energy: -1.328
local terms energy: -48.988310
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -3.981
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: 155
Temperature: 1.300000
Total energy: -82.069028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.069028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.069028 (E_RNA)
where:
Base-Base interactions energy: -35.702
where: short stacking energy: -32.865
Base-Backbone interact. energy: -0.252
local terms energy: -46.114644
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -5.714
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: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -76.672824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.672824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.672824 (E_RNA)
where:
Base-Base interactions energy: -33.967
where: short stacking energy: -33.967
Base-Backbone interact. energy: -0.131
local terms energy: -42.574778
where:
bonds (distance) C4'-P energy: -7.833
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -6.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -241.531250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.531250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.531250 (E_RNA)
where:
Base-Base interactions energy: -162.562
where: short stacking energy: -72.435
Base-Backbone interact. energy: -0.395
local terms energy: -78.573791
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -204.970500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.970500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.970500 (E_RNA)
where:
Base-Base interactions energy: -134.371
where: short stacking energy: -59.990
Base-Backbone interact. energy: -0.006
local terms energy: -70.593393
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -10.663
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: 3, replica: 6
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -204.486891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.486891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.486891 (E_RNA)
where:
Base-Base interactions energy: -142.929
where: short stacking energy: -58.338
Base-Backbone interact. energy: -0.802
local terms energy: -60.754956
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -6.159
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: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -203.589998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.589998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.589998 (E_RNA)
where:
Base-Base interactions energy: -132.184
where: short stacking energy: -61.797
Base-Backbone interact. energy: 1.856
local terms energy: -73.261456
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -191.722917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.722917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.722917 (E_RNA)
where:
Base-Base interactions energy: -128.396
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.068
local terms energy: -63.259002
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -155.866881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.866881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.866881 (E_RNA)
where:
Base-Base interactions energy: -91.930
where: short stacking energy: -49.131
Base-Backbone interact. energy: -0.237
local terms energy: -63.699519
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -10.587
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: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -131.575331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.575331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.575331 (E_RNA)
where:
Base-Base interactions energy: -68.542
where: short stacking energy: -32.580
Base-Backbone interact. energy: -0.703
local terms energy: -62.330427
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -19.095
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -98.856287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.856287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.856287 (E_RNA)
where:
Base-Base interactions energy: -35.091
where: short stacking energy: -32.720
Base-Backbone interact. energy: -0.394
local terms energy: -63.371497
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -8.458
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -9.398
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: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -77.715940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.715940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.715940 (E_RNA)
where:
Base-Base interactions energy: -34.471
where: short stacking energy: -33.569
Base-Backbone interact. energy: -0.182
local terms energy: -43.063083
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: 0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -86.573136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.573136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.573136 (E_RNA)
where:
Base-Base interactions energy: -34.092
where: short stacking energy: -27.698
Base-Backbone interact. energy: -1.254
local terms energy: -51.226448
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: 0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -239.946294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.946294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.946294 (E_RNA)
where:
Base-Base interactions energy: -164.191
where: short stacking energy: -68.717
Base-Backbone interact. energy: -0.263
local terms energy: -75.492435
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -219.683068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.683068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.683068 (E_RNA)
where:
Base-Base interactions energy: -141.639
where: short stacking energy: -54.331
Base-Backbone interact. energy: -0.849
local terms energy: -77.194320
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -209.171146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.171146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.171146 (E_RNA)
where:
Base-Base interactions energy: -130.697
where: short stacking energy: -65.231
Base-Backbone interact. energy: -0.312
local terms energy: -78.161636
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -18.470
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: 157
Temperature: 1.050000
Total energy: -210.580209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.580209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.580209 (E_RNA)
where:
Base-Base interactions energy: -141.547
where: short stacking energy: -62.118
Base-Backbone interact. energy: 0.853
local terms energy: -69.885879
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -190.573216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.573216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.573216 (E_RNA)
where:
Base-Base interactions energy: -126.117
where: short stacking energy: -65.562
Base-Backbone interact. energy: -0.191
local terms energy: -64.265329
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -8.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -181.505069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.505069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.505069 (E_RNA)
where:
Base-Base interactions energy: -109.254
where: short stacking energy: -59.806
Base-Backbone interact. energy: -0.219
local terms energy: -72.032808
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -11.120
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: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -112.703726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.703726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.703726 (E_RNA)
where:
Base-Base interactions energy: -54.610
where: short stacking energy: -31.657
Base-Backbone interact. energy: -0.128
local terms energy: -57.965818
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: 1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -99.768085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.768085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.768085 (E_RNA)
where:
Base-Base interactions energy: -43.428
where: short stacking energy: -38.400
Base-Backbone interact. energy: -1.045
local terms energy: -55.294983
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -7.393
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: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -96.316924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.316924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.316924 (E_RNA)
where:
Base-Base interactions energy: -45.484
where: short stacking energy: -31.298
Base-Backbone interact. energy: -0.294
local terms energy: -50.539044
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -9.695
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: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -92.375980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.375980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.375980 (E_RNA)
where:
Base-Base interactions energy: -36.616
where: short stacking energy: -18.050
Base-Backbone interact. energy: -0.126
local terms energy: -55.633738
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -242.035185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.035185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.035185 (E_RNA)
where:
Base-Base interactions energy: -158.061
where: short stacking energy: -68.635
Base-Backbone interact. energy: -0.257
local terms energy: -83.716997
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -21.468
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: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -225.168770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.168770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.168770 (E_RNA)
where:
Base-Base interactions energy: -145.710
where: short stacking energy: -59.072
Base-Backbone interact. energy: -0.421
local terms energy: -79.037379
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -13.913
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: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -206.308620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.308620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.308620 (E_RNA)
where:
Base-Base interactions energy: -126.828
where: short stacking energy: -66.802
Base-Backbone interact. energy: -0.010
local terms energy: -79.470961
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -188.980962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.980962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.980962 (E_RNA)
where:
Base-Base interactions energy: -123.328
where: short stacking energy: -64.860
Base-Backbone interact. energy: -1.112
local terms energy: -64.540395
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -11.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -189.066201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.066201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.066201 (E_RNA)
where:
Base-Base interactions energy: -122.327
where: short stacking energy: -51.992
Base-Backbone interact. energy: -0.301
local terms energy: -66.438233
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -10.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -181.845178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.845178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.845178 (E_RNA)
where:
Base-Base interactions energy: -114.170
where: short stacking energy: -55.515
Base-Backbone interact. energy: 2.406
local terms energy: -70.081084
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -12.991
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: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -109.699921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.699921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.699921 (E_RNA)
where:
Base-Base interactions energy: -50.870
where: short stacking energy: -50.870
Base-Backbone interact. energy: -0.016
local terms energy: -58.814041
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -87.681391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.681391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.681391 (E_RNA)
where:
Base-Base interactions energy: -38.406
where: short stacking energy: -38.406
Base-Backbone interact. energy: 0.102
local terms energy: -49.377922
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -4.180
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: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -91.886608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.886608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.886608 (E_RNA)
where:
Base-Base interactions energy: -45.962
where: short stacking energy: -38.120
Base-Backbone interact. energy: 0.171
local terms energy: -46.095692
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -85.125524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.125524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.125524 (E_RNA)
where:
Base-Base interactions energy: -38.620
where: short stacking energy: -38.620
Base-Backbone interact. energy: -0.204
local terms energy: -46.301310
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -241.657363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.657363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.657363 (E_RNA)
where:
Base-Base interactions energy: -160.544
where: short stacking energy: -62.898
Base-Backbone interact. energy: -0.840
local terms energy: -80.273527
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -20.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -237.626590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.626590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.626590 (E_RNA)
where:
Base-Base interactions energy: -155.664
where: short stacking energy: -68.973
Base-Backbone interact. energy: -0.185
local terms energy: -81.777752
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -13.343
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: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -199.136685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.136685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.136685 (E_RNA)
where:
Base-Base interactions energy: -133.101
where: short stacking energy: -62.858
Base-Backbone interact. energy: -0.002
local terms energy: -66.033672
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -19.613
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: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -208.765209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.765209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.765209 (E_RNA)
where:
Base-Base interactions energy: -145.346
where: short stacking energy: -61.379
Base-Backbone interact. energy: -0.803
local terms energy: -62.616089
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -188.747657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.747657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.747657 (E_RNA)
where:
Base-Base interactions energy: -123.985
where: short stacking energy: -50.036
Base-Backbone interact. energy: 0.417
local terms energy: -65.179046
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -188.046383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.046383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.046383 (E_RNA)
where:
Base-Base interactions energy: -113.482
where: short stacking energy: -60.742
Base-Backbone interact. energy: -0.162
local terms energy: -74.402056
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -6.721
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: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -95.703803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.703803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.703803 (E_RNA)
where:
Base-Base interactions energy: -34.571
where: short stacking energy: -33.307
Base-Backbone interact. energy: -0.438
local terms energy: -60.694257
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -88.585384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.585384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.585384 (E_RNA)
where:
Base-Base interactions energy: -33.938
where: short stacking energy: -33.938
Base-Backbone interact. energy: -0.472
local terms energy: -54.174695
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -89.663988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.663988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.663988 (E_RNA)
where:
Base-Base interactions energy: -34.677
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.067
local terms energy: -54.919949
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -77.374693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.374693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.374693 (E_RNA)
where:
Base-Base interactions energy: -41.930
where: short stacking energy: -21.777
Base-Backbone interact. energy: -0.357
local terms energy: -35.087205
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -2.368
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -233.249087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.249087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.249087 (E_RNA)
where:
Base-Base interactions energy: -149.074
where: short stacking energy: -79.376
Base-Backbone interact. energy: -0.641
local terms energy: -83.534230
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -24.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -237.230926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.230926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.230926 (E_RNA)
where:
Base-Base interactions energy: -163.587
where: short stacking energy: -69.913
Base-Backbone interact. energy: 0.030
local terms energy: -73.673938
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -16.501
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: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -225.351045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.351045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.351045 (E_RNA)
where:
Base-Base interactions energy: -149.326
where: short stacking energy: -72.291
Base-Backbone interact. energy: -0.485
local terms energy: -75.539843
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -201.379232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.379232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.379232 (E_RNA)
where:
Base-Base interactions energy: -134.068
where: short stacking energy: -68.334
Base-Backbone interact. energy: -1.112
local terms energy: -66.199776
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -13.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -206.195025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.195025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.195025 (E_RNA)
where:
Base-Base interactions energy: -132.193
where: short stacking energy: -59.630
Base-Backbone interact. energy: -0.172
local terms energy: -73.829705
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -176.465198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.465198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.465198 (E_RNA)
where:
Base-Base interactions energy: -110.041
where: short stacking energy: -52.313
Base-Backbone interact. energy: -0.701
local terms energy: -65.722692
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -15.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -102.644311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.644311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.644311 (E_RNA)
where:
Base-Base interactions energy: -44.469
where: short stacking energy: -41.079
Base-Backbone interact. energy: -0.167
local terms energy: -58.008375
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -12.068
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: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -102.054832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.054832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.054832 (E_RNA)
where:
Base-Base interactions energy: -49.755
where: short stacking energy: -34.610
Base-Backbone interact. energy: -0.588
local terms energy: -51.711895
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -86.395581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.395581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.395581 (E_RNA)
where:
Base-Base interactions energy: -34.821
where: short stacking energy: -31.843
Base-Backbone interact. energy: -0.371
local terms energy: -51.204027
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -81.292341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.292341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.292341 (E_RNA)
where:
Base-Base interactions energy: -33.026
where: short stacking energy: -26.532
Base-Backbone interact. energy: -0.310
local terms energy: -47.955684
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -10.882
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: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -233.204520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.204520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.204520 (E_RNA)
where:
Base-Base interactions energy: -147.609
where: short stacking energy: -72.544
Base-Backbone interact. energy: -0.013
local terms energy: -85.582338
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -9.898
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: 2, replica: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -227.911141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.911141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.911141 (E_RNA)
where:
Base-Base interactions energy: -151.827
where: short stacking energy: -64.296
Base-Backbone interact. energy: -0.765
local terms energy: -75.319251
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -219.001768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.001768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.001768 (E_RNA)
where:
Base-Base interactions energy: -148.850
where: short stacking energy: -60.139
Base-Backbone interact. energy: -0.228
local terms energy: -69.923392
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -216.398678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.398678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.398678 (E_RNA)
where:
Base-Base interactions energy: -136.121
where: short stacking energy: -66.711
Base-Backbone interact. energy: -1.636
local terms energy: -78.641002
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -13.058
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: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -184.441109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.441109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.441109 (E_RNA)
where:
Base-Base interactions energy: -116.307
where: short stacking energy: -69.097
Base-Backbone interact. energy: -0.014
local terms energy: -68.119792
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -173.047331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.047331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.047331 (E_RNA)
where:
Base-Base interactions energy: -101.536
where: short stacking energy: -50.384
Base-Backbone interact. energy: -0.958
local terms energy: -70.553510
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -93.381349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.381349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.381349 (E_RNA)
where:
Base-Base interactions energy: -43.390
where: short stacking energy: -36.964
Base-Backbone interact. energy: -0.436
local terms energy: -49.554900
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -102.216882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.216882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.216882 (E_RNA)
where:
Base-Base interactions energy: -48.360
where: short stacking energy: -37.248
Base-Backbone interact. energy: -0.095
local terms energy: -53.761855
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -83.026423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.026423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.026423 (E_RNA)
where:
Base-Base interactions energy: -39.728
where: short stacking energy: -36.226
Base-Backbone interact. energy: -0.051
local terms energy: -43.247534
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -2.472
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -88.885013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.885013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.885013 (E_RNA)
where:
Base-Base interactions energy: -51.730
where: short stacking energy: -28.767
Base-Backbone interact. energy: -0.351
local terms energy: -36.804872
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -4.068
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: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -239.281517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.281517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.281517 (E_RNA)
where:
Base-Base interactions energy: -152.166
where: short stacking energy: -70.502
Base-Backbone interact. energy: -0.702
local terms energy: -86.413018
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -22.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -240.643315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.643315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.643315 (E_RNA)
where:
Base-Base interactions energy: -169.402
where: short stacking energy: -71.224
Base-Backbone interact. energy: -0.079
local terms energy: -71.162230
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -224.552004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.552004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.552004 (E_RNA)
where:
Base-Base interactions energy: -151.840
where: short stacking energy: -59.071
Base-Backbone interact. energy: -0.504
local terms energy: -72.207185
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -15.327
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: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -205.694993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.694993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.694993 (E_RNA)
where:
Base-Base interactions energy: -131.736
where: short stacking energy: -58.782
Base-Backbone interact. energy: -1.003
local terms energy: -72.956868
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -18.052
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: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -180.589475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.589475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.589475 (E_RNA)
where:
Base-Base interactions energy: -114.483
where: short stacking energy: -59.384
Base-Backbone interact. energy: -0.007
local terms energy: -66.098958
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -12.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -161.959736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.959736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.959736 (E_RNA)
where:
Base-Base interactions energy: -101.768
where: short stacking energy: -54.465
Base-Backbone interact. energy: -0.167
local terms energy: -60.025119
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -114.918865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.918865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.918865 (E_RNA)
where:
Base-Base interactions energy: -44.325
where: short stacking energy: -45.014
Base-Backbone interact. energy: -0.051
local terms energy: -70.542943
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -97.938738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.938738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.938738 (E_RNA)
where:
Base-Base interactions energy: -37.588
where: short stacking energy: -36.621
Base-Backbone interact. energy: -0.019
local terms energy: -60.331469
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -10.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -89.749242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.749242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.749242 (E_RNA)
where:
Base-Base interactions energy: -39.850
where: short stacking energy: -22.717
Base-Backbone interact. energy: -0.854
local terms energy: -49.045605
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -5.610
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: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -79.642596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.642596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.642596 (E_RNA)
where:
Base-Base interactions energy: -34.852
where: short stacking energy: -27.425
Base-Backbone interact. energy: -2.263
local terms energy: -42.528123
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -5.573
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -225.003074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.003074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.003074 (E_RNA)
where:
Base-Base interactions energy: -149.369
where: short stacking energy: -71.721
Base-Backbone interact. energy: -0.005
local terms energy: -75.629014
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -7.761
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: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -238.388635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.388635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.388635 (E_RNA)
where:
Base-Base interactions energy: -162.990
where: short stacking energy: -72.006
Base-Backbone interact. energy: -0.201
local terms energy: -75.197134
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -217.342132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.342132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.342132 (E_RNA)
where:
Base-Base interactions energy: -147.143
where: short stacking energy: -69.954
Base-Backbone interact. energy: -0.615
local terms energy: -69.584977
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -206.058574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.058574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.058574 (E_RNA)
where:
Base-Base interactions energy: -135.226
where: short stacking energy: -58.671
Base-Backbone interact. energy: -1.177
local terms energy: -69.655257
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -185.190334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.190334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.190334 (E_RNA)
where:
Base-Base interactions energy: -114.165
where: short stacking energy: -51.847
Base-Backbone interact. energy: -0.819
local terms energy: -70.205984
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -12.606
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: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -122.304981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.304981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.304981 (E_RNA)
where:
Base-Base interactions energy: -61.842
where: short stacking energy: -48.361
Base-Backbone interact. energy: 0.576
local terms energy: -61.039031
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -154.000161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.000161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.000161 (E_RNA)
where:
Base-Base interactions energy: -90.979
where: short stacking energy: -41.440
Base-Backbone interact. energy: -0.100
local terms energy: -62.921525
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -6.609
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: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -113.030036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.030036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.030036 (E_RNA)
where:
Base-Base interactions energy: -62.816
where: short stacking energy: -26.597
Base-Backbone interact. energy: -0.781
local terms energy: -49.433253
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -83.696072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.696072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.696072 (E_RNA)
where:
Base-Base interactions energy: -31.014
where: short stacking energy: -30.994
Base-Backbone interact. energy: -0.125
local terms energy: -52.556782
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -11.053
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: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -95.420968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.420968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.420968 (E_RNA)
where:
Base-Base interactions energy: -41.745
where: short stacking energy: -41.745
Base-Backbone interact. energy: 3.004
local terms energy: -56.679892
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -236.967474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.967474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.967474 (E_RNA)
where:
Base-Base interactions energy: -163.442
where: short stacking energy: -65.301
Base-Backbone interact. energy: -0.101
local terms energy: -73.424540
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -14.219
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: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -237.204435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.204435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.204435 (E_RNA)
where:
Base-Base interactions energy: -158.837
where: short stacking energy: -66.335
Base-Backbone interact. energy: -0.195
local terms energy: -78.172661
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -219.741364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.741364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.741364 (E_RNA)
where:
Base-Base interactions energy: -140.324
where: short stacking energy: -73.845
Base-Backbone interact. energy: -0.945
local terms energy: -78.471788
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -24.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -188.276846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.276846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.276846 (E_RNA)
where:
Base-Base interactions energy: -123.790
where: short stacking energy: -45.104
Base-Backbone interact. energy: -0.609
local terms energy: -63.877970
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -14.052
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: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -169.929491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.929491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.929491 (E_RNA)
where:
Base-Base interactions energy: -108.366
where: short stacking energy: -57.371
Base-Backbone interact. energy: -0.420
local terms energy: -61.144135
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -9.627
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -8.930
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: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -112.796420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.796420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.796420 (E_RNA)
where:
Base-Base interactions energy: -53.583
where: short stacking energy: -40.377
Base-Backbone interact. energy: -0.237
local terms energy: -58.976607
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -8.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -163.276302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.276302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.276302 (E_RNA)
where:
Base-Base interactions energy: -109.351
where: short stacking energy: -52.575
Base-Backbone interact. energy: -0.009
local terms energy: -53.915902
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -10.298
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: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -91.333852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.333852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.333852 (E_RNA)
where:
Base-Base interactions energy: -44.724
where: short stacking energy: -27.184
Base-Backbone interact. energy: 0.118
local terms energy: -46.727242
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: 1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -87.489221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.489221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.489221 (E_RNA)
where:
Base-Base interactions energy: -38.491
where: short stacking energy: -38.491
Base-Backbone interact. energy: -0.103
local terms energy: -48.894811
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -9.949
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -8.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -86.372757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.372757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.372757 (E_RNA)
where:
Base-Base interactions energy: -35.004
where: short stacking energy: -35.004
Base-Backbone interact. energy: -0.001
local terms energy: -51.367187
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -4.295
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: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -250.378237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.378237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.378237 (E_RNA)
where:
Base-Base interactions energy: -169.796
where: short stacking energy: -70.136
Base-Backbone interact. energy: -0.192
local terms energy: -80.389928
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -232.828801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.828801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.828801 (E_RNA)
where:
Base-Base interactions energy: -158.619
where: short stacking energy: -67.115
Base-Backbone interact. energy: -0.001
local terms energy: -74.208073
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -229.967156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.967156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.967156 (E_RNA)
where:
Base-Base interactions energy: -151.391
where: short stacking energy: -74.619
Base-Backbone interact. energy: -2.016
local terms energy: -76.559712
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -20.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -189.357229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.357229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.357229 (E_RNA)
where:
Base-Base interactions energy: -127.852
where: short stacking energy: -52.323
Base-Backbone interact. energy: -0.188
local terms energy: -61.317696
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -12.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -185.327612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.327612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.327612 (E_RNA)
where:
Base-Base interactions energy: -113.185
where: short stacking energy: -58.622
Base-Backbone interact. energy: -0.475
local terms energy: -71.667785
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -16.371
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: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -190.892240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.892240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.892240 (E_RNA)
where:
Base-Base interactions energy: -124.277
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.081
local terms energy: -66.534044
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -115.165063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.165063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.165063 (E_RNA)
where:
Base-Base interactions energy: -48.095
where: short stacking energy: -40.887
Base-Backbone interact. energy: 0.432
local terms energy: -67.501778
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -12.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -84.640729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.640729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.640729 (E_RNA)
where:
Base-Base interactions energy: -30.357
where: short stacking energy: -23.020
Base-Backbone interact. energy: 0.112
local terms energy: -54.396072
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -102.800363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.800363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.800363 (E_RNA)
where:
Base-Base interactions energy: -43.548
where: short stacking energy: -34.238
Base-Backbone interact. energy: -0.080
local terms energy: -59.171901
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -90.100278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.100278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.100278 (E_RNA)
where:
Base-Base interactions energy: -35.368
where: short stacking energy: -30.414
Base-Backbone interact. energy: -0.025
local terms energy: -54.707169
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -10.896
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: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -245.862847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.862847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.862847 (E_RNA)
where:
Base-Base interactions energy: -167.394
where: short stacking energy: -66.034
Base-Backbone interact. energy: -0.147
local terms energy: -78.322080
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -19.446
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: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -230.290657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.290657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.290657 (E_RNA)
where:
Base-Base interactions energy: -161.292
where: short stacking energy: -69.143
Base-Backbone interact. energy: -0.378
local terms energy: -68.620286
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -7.001
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: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -212.802134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.802134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.802134 (E_RNA)
where:
Base-Base interactions energy: -133.915
where: short stacking energy: -71.090
Base-Backbone interact. energy: -1.408
local terms energy: -77.478813
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -24.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -186.508404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.508404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.508404 (E_RNA)
where:
Base-Base interactions energy: -118.371
where: short stacking energy: -54.455
Base-Backbone interact. energy: -0.169
local terms energy: -67.968646
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -13.224
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: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -203.046968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.046968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.046968 (E_RNA)
where:
Base-Base interactions energy: -130.908
where: short stacking energy: -69.609
Base-Backbone interact. energy: -0.000
local terms energy: -72.138246
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -183.616591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.616591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.616591 (E_RNA)
where:
Base-Base interactions energy: -116.078
where: short stacking energy: -56.485
Base-Backbone interact. energy: -0.431
local terms energy: -67.107322
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -98.869230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.869230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.869230 (E_RNA)
where:
Base-Base interactions energy: -42.822
where: short stacking energy: -39.365
Base-Backbone interact. energy: -0.812
local terms energy: -55.235047
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -92.321189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.321189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.321189 (E_RNA)
where:
Base-Base interactions energy: -40.968
where: short stacking energy: -29.946
Base-Backbone interact. energy: -0.139
local terms energy: -51.214787
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -92.003461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.003461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.003461 (E_RNA)
where:
Base-Base interactions energy: -41.911
where: short stacking energy: -41.911
Base-Backbone interact. energy: -0.375
local terms energy: -49.717481
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -8.607
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -9.646
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: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -78.547863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.547863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.547863 (E_RNA)
where:
Base-Base interactions energy: -27.007
where: short stacking energy: -25.249
Base-Backbone interact. energy: -0.231
local terms energy: -51.309719
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -9.836
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: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -239.095979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.095979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.095979 (E_RNA)
where:
Base-Base interactions energy: -160.551
where: short stacking energy: -65.111
Base-Backbone interact. energy: 0.326
local terms energy: -78.871031
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -221.419714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.419714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.419714 (E_RNA)
where:
Base-Base interactions energy: -141.286
where: short stacking energy: -69.967
Base-Backbone interact. energy: -0.752
local terms energy: -79.381499
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -228.825550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.825550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.825550 (E_RNA)
where:
Base-Base interactions energy: -151.942
where: short stacking energy: -66.279
Base-Backbone interact. energy: -0.077
local terms energy: -76.807029
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -195.716896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.716896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.716896 (E_RNA)
where:
Base-Base interactions energy: -121.834
where: short stacking energy: -52.024
Base-Backbone interact. energy: -0.603
local terms energy: -73.279500
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -9.285
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: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -184.708370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.708370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.708370 (E_RNA)
where:
Base-Base interactions energy: -115.274
where: short stacking energy: -56.726
Base-Backbone interact. energy: -0.081
local terms energy: -69.353907
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -165.214127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.214127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.214127 (E_RNA)
where:
Base-Base interactions energy: -112.220
where: short stacking energy: -62.925
Base-Backbone interact. energy: 1.786
local terms energy: -54.780255
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -97.230082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.230082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.230082 (E_RNA)
where:
Base-Base interactions energy: -30.929
where: short stacking energy: -30.929
Base-Backbone interact. energy: -0.136
local terms energy: -66.164962
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -13.804
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: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -96.786345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.786345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.786345 (E_RNA)
where:
Base-Base interactions energy: -37.812
where: short stacking energy: -32.614
Base-Backbone interact. energy: -0.034
local terms energy: -58.939688
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -6.445
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: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -94.470734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.470734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.470734 (E_RNA)
where:
Base-Base interactions energy: -39.506
where: short stacking energy: -39.081
Base-Backbone interact. energy: -0.118
local terms energy: -54.845963
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -5.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -79.717878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.717878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.717878 (E_RNA)
where:
Base-Base interactions energy: -33.914
where: short stacking energy: -30.464
Base-Backbone interact. energy: -0.027
local terms energy: -45.777085
where:
bonds (distance) C4'-P energy: -7.681
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -225.070611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.070611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.070611 (E_RNA)
where:
Base-Base interactions energy: -152.837
where: short stacking energy: -65.052
Base-Backbone interact. energy: -0.182
local terms energy: -72.051155
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -15.553
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: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -224.477259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.477259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.477259 (E_RNA)
where:
Base-Base interactions energy: -142.268
where: short stacking energy: -72.781
Base-Backbone interact. energy: -1.085
local terms energy: -81.123855
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -24.143
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: 10
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -225.352436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.352436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.352436 (E_RNA)
where:
Base-Base interactions energy: -152.156
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.304
local terms energy: -72.891919
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -17.543
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: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -192.876798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.876798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.876798 (E_RNA)
where:
Base-Base interactions energy: -128.721
where: short stacking energy: -45.470
Base-Backbone interact. energy: -0.093
local terms energy: -64.062135
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -10.336
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: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -192.550008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.550008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.550008 (E_RNA)
where:
Base-Base interactions energy: -123.696
where: short stacking energy: -60.350
Base-Backbone interact. energy: -0.059
local terms energy: -68.794915
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -176.901424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.901424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.901424 (E_RNA)
where:
Base-Base interactions energy: -114.831
where: short stacking energy: -44.772
Base-Backbone interact. energy: -0.276
local terms energy: -61.795107
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -11.018
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: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -106.765477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.765477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.765477 (E_RNA)
where:
Base-Base interactions energy: -48.663
where: short stacking energy: -43.996
Base-Backbone interact. energy: -0.001
local terms energy: -58.101556
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -7.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -94.786531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.786531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.786531 (E_RNA)
where:
Base-Base interactions energy: -37.646
where: short stacking energy: -27.879
Base-Backbone interact. energy: -0.298
local terms energy: -56.843102
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -90.139996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.139996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.139996 (E_RNA)
where:
Base-Base interactions energy: -34.849
where: short stacking energy: -33.846
Base-Backbone interact. energy: -0.041
local terms energy: -55.249897
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -3.090
tors. eta vs tors. theta energy: -3.929
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: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -85.409310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.409310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.409310 (E_RNA)
where:
Base-Base interactions energy: -36.188
where: short stacking energy: -34.917
Base-Backbone interact. energy: -0.427
local terms energy: -48.793798
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: 0.782
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -236.552240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.552240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.552240 (E_RNA)
where:
Base-Base interactions energy: -163.389
where: short stacking energy: -71.904
Base-Backbone interact. energy: -0.569
local terms energy: -72.594346
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -12.639
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: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -230.213243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.213243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.213243 (E_RNA)
where:
Base-Base interactions energy: -155.920
where: short stacking energy: -68.246
Base-Backbone interact. energy: -1.046
local terms energy: -73.247270
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -17.888
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: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -220.235147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.235147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.235147 (E_RNA)
where:
Base-Base interactions energy: -140.533
where: short stacking energy: -73.347
Base-Backbone interact. energy: -1.482
local terms energy: -78.220277
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -192.302418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.302418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.302418 (E_RNA)
where:
Base-Base interactions energy: -120.966
where: short stacking energy: -64.809
Base-Backbone interact. energy: -0.607
local terms energy: -70.729037
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -201.041579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.041579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.041579 (E_RNA)
where:
Base-Base interactions energy: -135.826
where: short stacking energy: -49.864
Base-Backbone interact. energy: 1.735
local terms energy: -66.950988
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -11.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -170.782539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.782539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.782539 (E_RNA)
where:
Base-Base interactions energy: -101.759
where: short stacking energy: -54.295
Base-Backbone interact. energy: -0.411
local terms energy: -68.613053
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -3.146
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -96.319382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.319382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.319382 (E_RNA)
where:
Base-Base interactions energy: -31.433
where: short stacking energy: -31.433
Base-Backbone interact. energy: 0.276
local terms energy: -65.162642
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -87.581608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.581608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.581608 (E_RNA)
where:
Base-Base interactions energy: -38.429
where: short stacking energy: -32.874
Base-Backbone interact. energy: -0.091
local terms energy: -49.061040
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -90.942222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.942222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.942222 (E_RNA)
where:
Base-Base interactions energy: -35.493
where: short stacking energy: -24.784
Base-Backbone interact. energy: -0.009
local terms energy: -55.440061
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: 1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -89.985872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.985872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.985872 (E_RNA)
where:
Base-Base interactions energy: -34.724
where: short stacking energy: -34.724
Base-Backbone interact. energy: -0.343
local terms energy: -54.918625
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -3.736
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -242.768872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.768872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.768872 (E_RNA)
where:
Base-Base interactions energy: -164.965
where: short stacking energy: -68.765
Base-Backbone interact. energy: -0.155
local terms energy: -77.648439
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -19.660
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: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -211.321575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.321575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.321575 (E_RNA)
where:
Base-Base interactions energy: -147.556
where: short stacking energy: -56.133
Base-Backbone interact. energy: -0.548
local terms energy: -63.217540
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -8.376
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: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -206.619612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.619612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.619612 (E_RNA)
where:
Base-Base interactions energy: -128.323
where: short stacking energy: -60.667
Base-Backbone interact. energy: -1.166
local terms energy: -77.130357
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -187.079334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.079334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.079334 (E_RNA)
where:
Base-Base interactions energy: -120.056
where: short stacking energy: -58.504
Base-Backbone interact. energy: -0.012
local terms energy: -67.011050
where:
bonds (distance) C4'-P energy: -9.154
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -193.493067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.493067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.493067 (E_RNA)
where:
Base-Base interactions energy: -136.517
where: short stacking energy: -58.036
Base-Backbone interact. energy: 0.686
local terms energy: -57.662621
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -8.012
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -164.408891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.408891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.408891 (E_RNA)
where:
Base-Base interactions energy: -111.363
where: short stacking energy: -39.799
Base-Backbone interact. energy: 1.114
local terms energy: -54.159145
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -9.043
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: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -106.447809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.447809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.447809 (E_RNA)
where:
Base-Base interactions energy: -61.770
where: short stacking energy: -22.851
Base-Backbone interact. energy: -0.230
local terms energy: -44.448287
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -112.532104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.532104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.532104 (E_RNA)
where:
Base-Base interactions energy: -67.511
where: short stacking energy: -35.704
Base-Backbone interact. energy: 0.002
local terms energy: -45.022813
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -83.377715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.377715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.377715 (E_RNA)
where:
Base-Base interactions energy: -38.540
where: short stacking energy: -23.241
Base-Backbone interact. energy: -0.055
local terms energy: -44.783133
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -7.214
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: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -77.479781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.479781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.479781 (E_RNA)
where:
Base-Base interactions energy: -30.034
where: short stacking energy: -30.034
Base-Backbone interact. energy: 3.127
local terms energy: -50.572201
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -7.745
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: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -240.213271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.213271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.213271 (E_RNA)
where:
Base-Base interactions energy: -161.269
where: short stacking energy: -70.247
Base-Backbone interact. energy: -0.348
local terms energy: -78.596069
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -21.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -202.123578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.123578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.123578 (E_RNA)
where:
Base-Base interactions energy: -139.049
where: short stacking energy: -51.821
Base-Backbone interact. energy: 0.614
local terms energy: -63.687998
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -11.349
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: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -214.833803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.833803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.833803 (E_RNA)
where:
Base-Base interactions energy: -137.466
where: short stacking energy: -68.088
Base-Backbone interact. energy: -1.673
local terms energy: -75.695050
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -23.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -227.195510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.195510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.195510 (E_RNA)
where:
Base-Base interactions energy: -154.696
where: short stacking energy: -62.210
Base-Backbone interact. energy: -1.122
local terms energy: -71.377357
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -21.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -199.386752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.386752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.386752 (E_RNA)
where:
Base-Base interactions energy: -129.199
where: short stacking energy: -56.724
Base-Backbone interact. energy: -0.053
local terms energy: -70.135312
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -174.372276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.372276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.372276 (E_RNA)
where:
Base-Base interactions energy: -113.584
where: short stacking energy: -46.083
Base-Backbone interact. energy: -1.142
local terms energy: -59.646212
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -7.417
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: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -111.556196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.556196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.556196 (E_RNA)
where:
Base-Base interactions energy: -57.888
where: short stacking energy: -30.159
Base-Backbone interact. energy: -1.226
local terms energy: -52.442533
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -100.487743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.487743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.487743 (E_RNA)
where:
Base-Base interactions energy: -39.320
where: short stacking energy: -39.320
Base-Backbone interact. energy: 0.145
local terms energy: -61.312941
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -8.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -87.534100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.534100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.534100 (E_RNA)
where:
Base-Base interactions energy: -37.988
where: short stacking energy: -37.824
Base-Backbone interact. energy: -0.194
local terms energy: -49.351945
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -88.443592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.443592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.443592 (E_RNA)
where:
Base-Base interactions energy: -31.526
where: short stacking energy: -31.225
Base-Backbone interact. energy: 1.924
local terms energy: -58.840970
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -208.045923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.045923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.045923 (E_RNA)
where:
Base-Base interactions energy: -130.314
where: short stacking energy: -58.555
Base-Backbone interact. energy: -0.915
local terms energy: -76.817266
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -233.839149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.839149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.839149 (E_RNA)
where:
Base-Base interactions energy: -155.649
where: short stacking energy: -67.743
Base-Backbone interact. energy: -0.178
local terms energy: -78.012889
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -19.599
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: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -216.518247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.518247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.518247 (E_RNA)
where:
Base-Base interactions energy: -144.937
where: short stacking energy: -66.293
Base-Backbone interact. energy: -0.218
local terms energy: -71.363586
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -15.438
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: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -207.355642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.355642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.355642 (E_RNA)
where:
Base-Base interactions energy: -135.023
where: short stacking energy: -54.116
Base-Backbone interact. energy: -0.448
local terms energy: -71.884087
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -161.646794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.646794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.646794 (E_RNA)
where:
Base-Base interactions energy: -98.721
where: short stacking energy: -48.803
Base-Backbone interact. energy: -0.600
local terms energy: -62.326395
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -11.420
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: 172
Temperature: 1.150000
Total energy: -197.876257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.876257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.876257 (E_RNA)
where:
Base-Base interactions energy: -124.161
where: short stacking energy: -63.586
Base-Backbone interact. energy: -0.787
local terms energy: -72.928080
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -104.314483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.314483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.314483 (E_RNA)
where:
Base-Base interactions energy: -47.226
where: short stacking energy: -25.292
Base-Backbone interact. energy: -0.257
local terms energy: -56.831464
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -101.624012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.624012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.624012 (E_RNA)
where:
Base-Base interactions energy: -48.335
where: short stacking energy: -36.362
Base-Backbone interact. energy: -0.399
local terms energy: -52.890656
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -8.808
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -83.824062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.824062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.824062 (E_RNA)
where:
Base-Base interactions energy: -41.561
where: short stacking energy: -23.605
Base-Backbone interact. energy: -0.248
local terms energy: -42.015012
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -83.091778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.091778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.091778 (E_RNA)
where:
Base-Base interactions energy: -32.922
where: short stacking energy: -32.922
Base-Backbone interact. energy: -0.138
local terms energy: -50.031770
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -211.405152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.405152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.405152 (E_RNA)
where:
Base-Base interactions energy: -144.420
where: short stacking energy: -64.745
Base-Backbone interact. energy: -0.060
local terms energy: -66.925255
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -11.093
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: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -236.923247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.923247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.923247 (E_RNA)
where:
Base-Base interactions energy: -161.189
where: short stacking energy: -63.791
Base-Backbone interact. energy: -0.412
local terms energy: -75.321791
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -230.762762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.762762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.762762 (E_RNA)
where:
Base-Base interactions energy: -156.016
where: short stacking energy: -62.716
Base-Backbone interact. energy: -0.114
local terms energy: -74.632436
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -11.613
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: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -167.439668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.439668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.439668 (E_RNA)
where:
Base-Base interactions energy: -90.332
where: short stacking energy: -51.622
Base-Backbone interact. energy: 0.115
local terms energy: -77.222355
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -210.793454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.793454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.793454 (E_RNA)
where:
Base-Base interactions energy: -131.122
where: short stacking energy: -65.450
Base-Backbone interact. energy: -1.459
local terms energy: -78.212552
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -181.509283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.509283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.509283 (E_RNA)
where:
Base-Base interactions energy: -115.659
where: short stacking energy: -59.073
Base-Backbone interact. energy: -0.260
local terms energy: -65.590308
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -3.711
tors. eta vs tors. theta energy: -17.086
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: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -108.689062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.689062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.689062 (E_RNA)
where:
Base-Base interactions energy: -51.695
where: short stacking energy: -49.251
Base-Backbone interact. energy: -0.106
local terms energy: -56.888044
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -102.091968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.091968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.091968 (E_RNA)
where:
Base-Base interactions energy: -42.563
where: short stacking energy: -36.165
Base-Backbone interact. energy: -0.088
local terms energy: -59.441345
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -97.500466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.500466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.500466 (E_RNA)
where:
Base-Base interactions energy: -52.249
where: short stacking energy: -32.319
Base-Backbone interact. energy: -0.660
local terms energy: -44.591599
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -2.733
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -84.399970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.399970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.399970 (E_RNA)
where:
Base-Base interactions energy: -24.597
where: short stacking energy: -24.168
Base-Backbone interact. energy: -0.413
local terms energy: -59.390148
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -241.369869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.369869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.369869 (E_RNA)
where:
Base-Base interactions energy: -164.366
where: short stacking energy: -68.711
Base-Backbone interact. energy: -0.147
local terms energy: -76.857080
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -16.555
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: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -207.049063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.049063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.049063 (E_RNA)
where:
Base-Base interactions energy: -131.905
where: short stacking energy: -62.935
Base-Backbone interact. energy: -0.130
local terms energy: -75.013652
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -16.416
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: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -238.701615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.701615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.701615 (E_RNA)
where:
Base-Base interactions energy: -162.749
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.003
local terms energy: -75.949696
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -20.184
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: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -187.261448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.261448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.261448 (E_RNA)
where:
Base-Base interactions energy: -118.861
where: short stacking energy: -71.887
Base-Backbone interact. energy: -0.000
local terms energy: -68.400274
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -15.004
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: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -194.139180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.139180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.139180 (E_RNA)
where:
Base-Base interactions energy: -136.846
where: short stacking energy: -70.744
Base-Backbone interact. energy: -0.579
local terms energy: -56.714520
where:
bonds (distance) C4'-P energy: -7.506
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -2.767
tors. eta vs tors. theta energy: -15.393
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: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -174.063321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.063321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.063321 (E_RNA)
where:
Base-Base interactions energy: -114.101
where: short stacking energy: -49.857
Base-Backbone interact. energy: 0.014
local terms energy: -59.976375
where:
bonds (distance) C4'-P energy: -8.370
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -14.305
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: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -117.151899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.151899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.151899 (E_RNA)
where:
Base-Base interactions energy: -49.502
where: short stacking energy: -40.296
Base-Backbone interact. energy: -0.516
local terms energy: -67.133600
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -9.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -102.744677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.744677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.744677 (E_RNA)
where:
Base-Base interactions energy: -43.086
where: short stacking energy: -35.926
Base-Backbone interact. energy: -0.121
local terms energy: -59.538315
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -7.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -95.227680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.227680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.227680 (E_RNA)
where:
Base-Base interactions energy: -48.348
where: short stacking energy: -28.601
Base-Backbone interact. energy: -0.412
local terms energy: -46.468539
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -86.031222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.031222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.031222 (E_RNA)
where:
Base-Base interactions energy: -46.799
where: short stacking energy: -34.781
Base-Backbone interact. energy: -0.458
local terms energy: -38.774265
where:
bonds (distance) C4'-P energy: -5.143
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -228.134826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.134826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.134826 (E_RNA)
where:
Base-Base interactions energy: -154.716
where: short stacking energy: -64.686
Base-Backbone interact. energy: -0.506
local terms energy: -72.913482
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -222.962331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.962331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.962331 (E_RNA)
where:
Base-Base interactions energy: -145.946
where: short stacking energy: -66.050
Base-Backbone interact. energy: -0.100
local terms energy: -76.916806
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -19.287
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: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -225.358576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.358576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.358576 (E_RNA)
where:
Base-Base interactions energy: -155.049
where: short stacking energy: -62.518
Base-Backbone interact. energy: -0.533
local terms energy: -69.776160
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -185.757875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.757875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.757875 (E_RNA)
where:
Base-Base interactions energy: -119.527
where: short stacking energy: -57.053
Base-Backbone interact. energy: -0.274
local terms energy: -65.957143
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -184.731665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.731665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.731665 (E_RNA)
where:
Base-Base interactions energy: -109.814
where: short stacking energy: -59.467
Base-Backbone interact. energy: -0.100
local terms energy: -74.818300
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -176.607952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.607952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.607952 (E_RNA)
where:
Base-Base interactions energy: -111.559
where: short stacking energy: -55.324
Base-Backbone interact. energy: -0.097
local terms energy: -64.952076
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -114.571132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.571132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.571132 (E_RNA)
where:
Base-Base interactions energy: -59.733
where: short stacking energy: -38.338
Base-Backbone interact. energy: -0.308
local terms energy: -54.530351
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -7.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -105.779755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.779755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.779755 (E_RNA)
where:
Base-Base interactions energy: -55.542
where: short stacking energy: -32.887
Base-Backbone interact. energy: -0.302
local terms energy: -49.935596
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -87.524417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.524417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.524417 (E_RNA)
where:
Base-Base interactions energy: -31.160
where: short stacking energy: -25.846
Base-Backbone interact. energy: -0.848
local terms energy: -55.516427
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -85.418267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.418267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.418267 (E_RNA)
where:
Base-Base interactions energy: -30.386
where: short stacking energy: -24.657
Base-Backbone interact. energy: -1.339
local terms energy: -53.693722
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -5.834
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: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -244.928475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.928475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.928475 (E_RNA)
where:
Base-Base interactions energy: -163.357
where: short stacking energy: -77.792
Base-Backbone interact. energy: -0.076
local terms energy: -81.495419
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -22.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -228.228601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.228601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.228601 (E_RNA)
where:
Base-Base interactions energy: -150.261
where: short stacking energy: -74.378
Base-Backbone interact. energy: -0.242
local terms energy: -77.726011
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -222.782549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.782549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.782549 (E_RNA)
where:
Base-Base interactions energy: -151.459
where: short stacking energy: -64.756
Base-Backbone interact. energy: -0.166
local terms energy: -71.157380
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -16.026
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: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -214.607013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.607013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.607013 (E_RNA)
where:
Base-Base interactions energy: -146.330
where: short stacking energy: -51.233
Base-Backbone interact. energy: -0.989
local terms energy: -67.288682
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -12.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -191.732173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.732173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.732173 (E_RNA)
where:
Base-Base interactions energy: -123.615
where: short stacking energy: -72.522
Base-Backbone interact. energy: -0.023
local terms energy: -68.094269
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -5.856
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: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -192.982580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.982580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.982580 (E_RNA)
where:
Base-Base interactions energy: -121.411
where: short stacking energy: -56.850
Base-Backbone interact. energy: 1.701
local terms energy: -73.272493
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -10.811
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: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -97.684528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.684528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.684528 (E_RNA)
where:
Base-Base interactions energy: -43.372
where: short stacking energy: -30.949
Base-Backbone interact. energy: -0.085
local terms energy: -54.228092
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -6.383
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: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -100.044279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.044279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.044279 (E_RNA)
where:
Base-Base interactions energy: -42.055
where: short stacking energy: -42.055
Base-Backbone interact. energy: -0.463
local terms energy: -57.525948
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -4.711
tors. eta vs tors. theta energy: -9.865
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: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -101.850550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.850550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.850550 (E_RNA)
where:
Base-Base interactions energy: -47.238
where: short stacking energy: -47.238
Base-Backbone interact. energy: -0.201
local terms energy: -54.411374
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -7.777
flat angles P-C4'-P energy: -9.603
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: 10, replica: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -86.092164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.092164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.092164 (E_RNA)
where:
Base-Base interactions energy: -34.425
where: short stacking energy: -34.425
Base-Backbone interact. energy: 0.369
local terms energy: -52.036596
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -8.780
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: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -244.786566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.786566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.786566 (E_RNA)
where:
Base-Base interactions energy: -167.466
where: short stacking energy: -72.844
Base-Backbone interact. energy: -0.728
local terms energy: -76.592591
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -9.429
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: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -231.938856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.938856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.938856 (E_RNA)
where:
Base-Base interactions energy: -156.635
where: short stacking energy: -67.209
Base-Backbone interact. energy: -0.136
local terms energy: -75.167420
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -19.051
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: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -225.656692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.656692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.656692 (E_RNA)
where:
Base-Base interactions energy: -159.683
where: short stacking energy: -63.036
Base-Backbone interact. energy: -0.704
local terms energy: -65.270281
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -11.552
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: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -207.531459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.531459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.531459 (E_RNA)
where:
Base-Base interactions energy: -131.802
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.030
local terms energy: -75.698984
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -173.584877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.584877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.584877 (E_RNA)
where:
Base-Base interactions energy: -113.063
where: short stacking energy: -55.658
Base-Backbone interact. energy: 0.026
local terms energy: -60.548583
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -6.983
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: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -170.841588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.841588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.841588 (E_RNA)
where:
Base-Base interactions energy: -99.257
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.512
local terms energy: -71.073022
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -13.497
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: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -122.223269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.223269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.223269 (E_RNA)
where:
Base-Base interactions energy: -68.093
where: short stacking energy: -34.103
Base-Backbone interact. energy: -0.893
local terms energy: -53.237006
where:
bonds (distance) C4'-P energy: -8.636
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -91.985320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.985320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.985320 (E_RNA)
where:
Base-Base interactions energy: -46.104
where: short stacking energy: -36.727
Base-Backbone interact. energy: 0.774
local terms energy: -46.655544
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -1.884
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: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -81.416503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.416503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.416503 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -29.891
Base-Backbone interact. energy: -0.229
local terms energy: -49.511512
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -90.060457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.060457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.060457 (E_RNA)
where:
Base-Base interactions energy: -35.503
where: short stacking energy: -33.093
Base-Backbone interact. energy: -0.048
local terms energy: -54.509240
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -5.422
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -8.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -243.708257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.708257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.708257 (E_RNA)
where:
Base-Base interactions energy: -164.125
where: short stacking energy: -71.415
Base-Backbone interact. energy: -0.639
local terms energy: -78.944533
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -23.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -222.877234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.877234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.877234 (E_RNA)
where:
Base-Base interactions energy: -144.868
where: short stacking energy: -57.453
Base-Backbone interact. energy: -0.568
local terms energy: -77.441327
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -210.959247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.959247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.959247 (E_RNA)
where:
Base-Base interactions energy: -145.560
where: short stacking energy: -56.941
Base-Backbone interact. energy: -0.066
local terms energy: -65.332858
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -8.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -206.847012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.847012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.847012 (E_RNA)
where:
Base-Base interactions energy: -132.083
where: short stacking energy: -75.578
Base-Backbone interact. energy: -0.185
local terms energy: -74.579137
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -201.041606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.041606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.041606 (E_RNA)
where:
Base-Base interactions energy: -132.246
where: short stacking energy: -71.776
Base-Backbone interact. energy: -0.079
local terms energy: -68.716536
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -162.728162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.728162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.728162 (E_RNA)
where:
Base-Base interactions energy: -94.162
where: short stacking energy: -53.666
Base-Backbone interact. energy: -0.310
local terms energy: -68.255625
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -12.564
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: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -92.070918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.070918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.070918 (E_RNA)
where:
Base-Base interactions energy: -41.173
where: short stacking energy: -35.351
Base-Backbone interact. energy: -0.120
local terms energy: -50.778186
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -6.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -100.541137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.541137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.541137 (E_RNA)
where:
Base-Base interactions energy: -41.714
where: short stacking energy: -31.632
Base-Backbone interact. energy: -1.325
local terms energy: -57.502249
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -87.671249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.671249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.671249 (E_RNA)
where:
Base-Base interactions energy: -45.089
where: short stacking energy: -40.484
Base-Backbone interact. energy: 4.821
local terms energy: -47.403026
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -8.788
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -80.296241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.296241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.296241 (E_RNA)
where:
Base-Base interactions energy: -24.130
where: short stacking energy: -24.630
Base-Backbone interact. energy: -0.138
local terms energy: -56.028048
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -241.434940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.434940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.434940 (E_RNA)
where:
Base-Base interactions energy: -158.550
where: short stacking energy: -63.043
Base-Backbone interact. energy: -1.151
local terms energy: -81.734062
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -219.356515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.356515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.356515 (E_RNA)
where:
Base-Base interactions energy: -143.587
where: short stacking energy: -51.496
Base-Backbone interact. energy: -0.562
local terms energy: -75.207813
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -218.145080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.145080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.145080 (E_RNA)
where:
Base-Base interactions energy: -147.402
where: short stacking energy: -57.216
Base-Backbone interact. energy: 0.077
local terms energy: -70.819788
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -9.968
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: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -184.097678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.097678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.097678 (E_RNA)
where:
Base-Base interactions energy: -113.074
where: short stacking energy: -54.310
Base-Backbone interact. energy: -0.183
local terms energy: -70.840695
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -7.562
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: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -179.018128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.018128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.018128 (E_RNA)
where:
Base-Base interactions energy: -110.536
where: short stacking energy: -49.503
Base-Backbone interact. energy: -0.234
local terms energy: -68.248248
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -152.974855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.974855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.974855 (E_RNA)
where:
Base-Base interactions energy: -84.893
where: short stacking energy: -50.956
Base-Backbone interact. energy: -0.805
local terms energy: -67.277658
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -13.897
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: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -92.871626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.871626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.871626 (E_RNA)
where:
Base-Base interactions energy: -36.351
where: short stacking energy: -35.432
Base-Backbone interact. energy: -0.195
local terms energy: -56.325773
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -100.127019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.127019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.127019 (E_RNA)
where:
Base-Base interactions energy: -46.260
where: short stacking energy: -38.654
Base-Backbone interact. energy: 0.027
local terms energy: -53.893820
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -89.388482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.388482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.388482 (E_RNA)
where:
Base-Base interactions energy: -39.405
where: short stacking energy: -30.076
Base-Backbone interact. energy: 1.582
local terms energy: -51.565978
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -78.584547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.584547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.584547 (E_RNA)
where:
Base-Base interactions energy: -34.526
where: short stacking energy: -34.108
Base-Backbone interact. energy: 0.258
local terms energy: -44.316061
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -9.653
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -243.177143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.177143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.177143 (E_RNA)
where:
Base-Base interactions energy: -161.209
where: short stacking energy: -73.970
Base-Backbone interact. energy: -0.073
local terms energy: -81.895740
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -24.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -211.497736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.497736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.497736 (E_RNA)
where:
Base-Base interactions energy: -134.853
where: short stacking energy: -54.038
Base-Backbone interact. energy: -0.015
local terms energy: -76.629932
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -11.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -199.747641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.747641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.747641 (E_RNA)
where:
Base-Base interactions energy: -131.671
where: short stacking energy: -56.906
Base-Backbone interact. energy: -0.051
local terms energy: -68.025801
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -8.595
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: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -201.094159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.094159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.094159 (E_RNA)
where:
Base-Base interactions energy: -131.480
where: short stacking energy: -54.544
Base-Backbone interact. energy: -0.240
local terms energy: -69.374142
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -18.467
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: 5, replica: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -184.379635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.379635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.379635 (E_RNA)
where:
Base-Base interactions energy: -119.922
where: short stacking energy: -60.628
Base-Backbone interact. energy: -0.095
local terms energy: -64.363385
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -12.251
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: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -146.960872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.960872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.960872 (E_RNA)
where:
Base-Base interactions energy: -78.111
where: short stacking energy: -52.838
Base-Backbone interact. energy: -1.101
local terms energy: -67.749248
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -101.878410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.878410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.878410 (E_RNA)
where:
Base-Base interactions energy: -40.319
where: short stacking energy: -40.319
Base-Backbone interact. energy: -0.067
local terms energy: -61.492513
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -106.751754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.751754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.751754 (E_RNA)
where:
Base-Base interactions energy: -56.773
where: short stacking energy: -35.197
Base-Backbone interact. energy: -0.240
local terms energy: -49.738021
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -81.224879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.224879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.224879 (E_RNA)
where:
Base-Base interactions energy: -27.977
where: short stacking energy: -26.555
Base-Backbone interact. energy: 0.994
local terms energy: -54.241760
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -90.503050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.503050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.503050 (E_RNA)
where:
Base-Base interactions energy: -40.880
where: short stacking energy: -31.282
Base-Backbone interact. energy: -0.094
local terms energy: -49.528430
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -8.102
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: 6
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -240.390005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.390005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.390005 (E_RNA)
where:
Base-Base interactions energy: -160.996
where: short stacking energy: -67.545
Base-Backbone interact. energy: -0.055
local terms energy: -79.339670
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -21.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -215.843529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.843529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.843529 (E_RNA)
where:
Base-Base interactions energy: -135.022
where: short stacking energy: -76.997
Base-Backbone interact. energy: -0.013
local terms energy: -80.807929
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -20.169
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: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -227.736112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.736112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.736112 (E_RNA)
where:
Base-Base interactions energy: -153.457
where: short stacking energy: -63.532
Base-Backbone interact. energy: -0.338
local terms energy: -73.941249
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -15.273
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: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -181.562726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.562726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.562726 (E_RNA)
where:
Base-Base interactions energy: -108.276
where: short stacking energy: -53.893
Base-Backbone interact. energy: -0.137
local terms energy: -73.149645
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -191.223986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.223986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.223986 (E_RNA)
where:
Base-Base interactions energy: -116.887
where: short stacking energy: -53.020
Base-Backbone interact. energy: -0.253
local terms energy: -74.083847
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -124.743915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.743915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.743915 (E_RNA)
where:
Base-Base interactions energy: -60.522
where: short stacking energy: -32.739
Base-Backbone interact. energy: -0.799
local terms energy: -63.423080
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -148.684348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.684348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.684348 (E_RNA)
where:
Base-Base interactions energy: -81.349
where: short stacking energy: -40.053
Base-Backbone interact. energy: -0.940
local terms energy: -66.395125
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -13.491
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: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -82.835036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.835036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.835036 (E_RNA)
where:
Base-Base interactions energy: -29.586
where: short stacking energy: -24.362
Base-Backbone interact. energy: -0.061
local terms energy: -53.188084
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: 1.406
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: 5
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -82.599750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.599750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.599750 (E_RNA)
where:
Base-Base interactions energy: -40.830
where: short stacking energy: -28.803
Base-Backbone interact. energy: 0.076
local terms energy: -41.845038
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -8.649
flat angles P-C4'-P energy: -9.825
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: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -84.414407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.414407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.414407 (E_RNA)
where:
Base-Base interactions energy: -29.053
where: short stacking energy: -28.722
Base-Backbone interact. energy: -0.076
local terms energy: -55.286182
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -6.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -240.204400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.204400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.204400 (E_RNA)
where:
Base-Base interactions energy: -159.544
where: short stacking energy: -69.995
Base-Backbone interact. energy: -0.164
local terms energy: -80.496148
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -201.095352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.095352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.095352 (E_RNA)
where:
Base-Base interactions energy: -126.722
where: short stacking energy: -72.895
Base-Backbone interact. energy: -2.123
local terms energy: -72.249867
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -22.940
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: 3, replica: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -231.921744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.921744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.921744 (E_RNA)
where:
Base-Base interactions energy: -156.346
where: short stacking energy: -62.824
Base-Backbone interact. energy: -0.228
local terms energy: -75.347539
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -186.436153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.436153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.436153 (E_RNA)
where:
Base-Base interactions energy: -117.579
where: short stacking energy: -51.432
Base-Backbone interact. energy: -0.178
local terms energy: -68.678703
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.862
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: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -196.649473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.649473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.649473 (E_RNA)
where:
Base-Base interactions energy: -127.081
where: short stacking energy: -58.872
Base-Backbone interact. energy: -0.115
local terms energy: -69.453832
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -135.359706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.359706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.359706 (E_RNA)
where:
Base-Base interactions energy: -69.279
where: short stacking energy: -47.383
Base-Backbone interact. energy: -0.161
local terms energy: -65.919663
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -102.128880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.128880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.128880 (E_RNA)
where:
Base-Base interactions energy: -51.110
where: short stacking energy: -42.050
Base-Backbone interact. energy: 0.256
local terms energy: -51.274894
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -154.989534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.989534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.989534 (E_RNA)
where:
Base-Base interactions energy: -87.739
where: short stacking energy: -39.830
Base-Backbone interact. energy: -0.170
local terms energy: -67.080426
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -87.871502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.871502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.871502 (E_RNA)
where:
Base-Base interactions energy: -37.214
where: short stacking energy: -36.995
Base-Backbone interact. energy: -0.132
local terms energy: -50.526406
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -4.859
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: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -103.942872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.942872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.942872 (E_RNA)
where:
Base-Base interactions energy: -44.517
where: short stacking energy: -31.610
Base-Backbone interact. energy: -0.094
local terms energy: -59.332637
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -10.636
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: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -243.729556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.729556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.729556 (E_RNA)
where:
Base-Base interactions energy: -169.677
where: short stacking energy: -72.465
Base-Backbone interact. energy: -0.081
local terms energy: -73.971368
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -5.907
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: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -232.805006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.805006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.805006 (E_RNA)
where:
Base-Base interactions energy: -153.863
where: short stacking energy: -65.782
Base-Backbone interact. energy: -0.130
local terms energy: -78.812028
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -207.676535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.676535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.676535 (E_RNA)
where:
Base-Base interactions energy: -131.016
where: short stacking energy: -70.597
Base-Backbone interact. energy: -0.008
local terms energy: -76.652282
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -209.763423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.763423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.763423 (E_RNA)
where:
Base-Base interactions energy: -137.889
where: short stacking energy: -68.162
Base-Backbone interact. energy: -0.047
local terms energy: -71.827614
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -9.656
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -171.703796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.703796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.703796 (E_RNA)
where:
Base-Base interactions energy: -111.287
where: short stacking energy: -47.445
Base-Backbone interact. energy: -0.297
local terms energy: -60.119736
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -12.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -103.269592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.269592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.269592 (E_RNA)
where:
Base-Base interactions energy: -52.104
where: short stacking energy: -45.962
Base-Backbone interact. energy: -0.177
local terms energy: -50.988286
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -10.701
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -91.029939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.029939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.029939 (E_RNA)
where:
Base-Base interactions energy: -37.133
where: short stacking energy: -36.018
Base-Backbone interact. energy: -0.223
local terms energy: -53.673833
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -137.119528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.119528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.119528 (E_RNA)
where:
Base-Base interactions energy: -75.618
where: short stacking energy: -43.269
Base-Backbone interact. energy: -0.621
local terms energy: -60.880432
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -108.343152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.343152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.343152 (E_RNA)
where:
Base-Base interactions energy: -48.701
where: short stacking energy: -44.354
Base-Backbone interact. energy: -0.003
local terms energy: -59.639220
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -99.746596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.746596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.746596 (E_RNA)
where:
Base-Base interactions energy: -59.304
where: short stacking energy: -18.832
Base-Backbone interact. energy: 0.100
local terms energy: -40.542363
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: 4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -239.811964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.811964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.811964 (E_RNA)
where:
Base-Base interactions energy: -159.808
where: short stacking energy: -68.937
Base-Backbone interact. energy: -0.166
local terms energy: -79.838072
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -19.527
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: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -237.107918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.107918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.107918 (E_RNA)
where:
Base-Base interactions energy: -154.538
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.152
local terms energy: -82.417833
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -21.315
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: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -200.505920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.505920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.505920 (E_RNA)
where:
Base-Base interactions energy: -128.779
where: short stacking energy: -64.884
Base-Backbone interact. energy: -0.031
local terms energy: -71.695332
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -12.091
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: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -191.762112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.762112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.762112 (E_RNA)
where:
Base-Base interactions energy: -130.217
where: short stacking energy: -67.491
Base-Backbone interact. energy: -1.073
local terms energy: -60.472128
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -163.266743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.266743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.266743 (E_RNA)
where:
Base-Base interactions energy: -103.439
where: short stacking energy: -50.915
Base-Backbone interact. energy: 0.189
local terms energy: -60.016763
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -97.802310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.802310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.802310 (E_RNA)
where:
Base-Base interactions energy: -38.385
where: short stacking energy: -36.617
Base-Backbone interact. energy: -0.090
local terms energy: -59.326365
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -7.993
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: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -135.401828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.401828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.401828 (E_RNA)
where:
Base-Base interactions energy: -78.335
where: short stacking energy: -36.528
Base-Backbone interact. energy: -1.083
local terms energy: -55.983646
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -4.898
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -89.855563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.855563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.855563 (E_RNA)
where:
Base-Base interactions energy: -33.169
where: short stacking energy: -24.914
Base-Backbone interact. energy: -1.727
local terms energy: -54.959461
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -85.440793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.440793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.440793 (E_RNA)
where:
Base-Base interactions energy: -39.499
where: short stacking energy: -34.253
Base-Backbone interact. energy: -0.404
local terms energy: -45.537206
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -80.416498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.416498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.416498 (E_RNA)
where:
Base-Base interactions energy: -33.925
where: short stacking energy: -33.925
Base-Backbone interact. energy: -0.079
local terms energy: -46.411871
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -239.589915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.589915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.589915 (E_RNA)
where:
Base-Base interactions energy: -164.174
where: short stacking energy: -70.068
Base-Backbone interact. energy: -0.121
local terms energy: -75.295220
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -228.858108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.858108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.858108 (E_RNA)
where:
Base-Base interactions energy: -158.959
where: short stacking energy: -67.299
Base-Backbone interact. energy: -0.100
local terms energy: -69.799256
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -21.887
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: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -211.492210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.492210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.492210 (E_RNA)
where:
Base-Base interactions energy: -138.899
where: short stacking energy: -75.574
Base-Backbone interact. energy: -0.001
local terms energy: -72.591985
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -169.375610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.375610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.375610 (E_RNA)
where:
Base-Base interactions energy: -102.812
where: short stacking energy: -49.332
Base-Backbone interact. energy: -0.184
local terms energy: -66.379757
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -5.895
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: 185
Temperature: 1.100000
Total energy: -191.766972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.766972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.766972 (E_RNA)
where:
Base-Base interactions energy: -132.745
where: short stacking energy: -55.177
Base-Backbone interact. energy: -0.108
local terms energy: -58.914098
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -12.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -110.229102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.229102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.229102 (E_RNA)
where:
Base-Base interactions energy: -61.548
where: short stacking energy: -34.046
Base-Backbone interact. energy: -0.119
local terms energy: -48.561882
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -6.401
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -106.422573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.422573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.422573 (E_RNA)
where:
Base-Base interactions energy: -52.140
where: short stacking energy: -49.734
Base-Backbone interact. energy: -0.134
local terms energy: -54.148546
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -8.111
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: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -98.644635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.644635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.644635 (E_RNA)
where:
Base-Base interactions energy: -39.884
where: short stacking energy: -33.844
Base-Backbone interact. energy: -0.033
local terms energy: -58.728319
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -86.320843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.320843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.320843 (E_RNA)
where:
Base-Base interactions energy: -36.440
where: short stacking energy: -27.033
Base-Backbone interact. energy: -0.254
local terms energy: -49.626943
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -90.290177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.290177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.290177 (E_RNA)
where:
Base-Base interactions energy: -37.552
where: short stacking energy: -34.557
Base-Backbone interact. energy: 0.434
local terms energy: -53.172045
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -249.146903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.146903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.146903 (E_RNA)
where:
Base-Base interactions energy: -164.657
where: short stacking energy: -68.576
Base-Backbone interact. energy: -0.104
local terms energy: -84.386468
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -239.963008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.963008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.963008 (E_RNA)
where:
Base-Base interactions energy: -165.724
where: short stacking energy: -68.237
Base-Backbone interact. energy: -0.060
local terms energy: -74.179346
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -19.182
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: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -198.908511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.908511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.908511 (E_RNA)
where:
Base-Base interactions energy: -125.701
where: short stacking energy: -62.871
Base-Backbone interact. energy: 0.308
local terms energy: -73.515463
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -14.376
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: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -181.948311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.948311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.948311 (E_RNA)
where:
Base-Base interactions energy: -103.480
where: short stacking energy: -59.355
Base-Backbone interact. energy: 0.627
local terms energy: -79.095914
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -16.183
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: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -194.640465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.640465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.640465 (E_RNA)
where:
Base-Base interactions energy: -128.995
where: short stacking energy: -59.065
Base-Backbone interact. energy: -0.063
local terms energy: -65.582350
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -15.504
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: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -115.914477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.914477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.914477 (E_RNA)
where:
Base-Base interactions energy: -66.811
where: short stacking energy: -53.167
Base-Backbone interact. energy: 0.192
local terms energy: -49.295169
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -0.840
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -105.208796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.208796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.208796 (E_RNA)
where:
Base-Base interactions energy: -46.248
where: short stacking energy: -40.957
Base-Backbone interact. energy: 0.517
local terms energy: -59.477693
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -104.991783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.991783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.991783 (E_RNA)
where:
Base-Base interactions energy: -55.336
where: short stacking energy: -37.409
Base-Backbone interact. energy: -0.216
local terms energy: -49.439646
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -90.332098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.332098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.332098 (E_RNA)
where:
Base-Base interactions energy: -33.237
where: short stacking energy: -30.589
Base-Backbone interact. energy: -0.355
local terms energy: -56.739732
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -5.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -87.132340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.132340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.132340 (E_RNA)
where:
Base-Base interactions energy: -34.366
where: short stacking energy: -31.696
Base-Backbone interact. energy: -0.144
local terms energy: -52.621776
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -233.592958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.592958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.592958 (E_RNA)
where:
Base-Base interactions energy: -159.824
where: short stacking energy: -69.819
Base-Backbone interact. energy: -0.341
local terms energy: -73.427756
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -7.603
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: 2, replica: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -228.315316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.315316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.315316 (E_RNA)
where:
Base-Base interactions energy: -156.878
where: short stacking energy: -72.879
Base-Backbone interact. energy: -0.110
local terms energy: -71.327548
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -6.394
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: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -190.929918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.929918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.929918 (E_RNA)
where:
Base-Base interactions energy: -117.157
where: short stacking energy: -53.975
Base-Backbone interact. energy: -0.279
local terms energy: -73.493026
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -13.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -216.308320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.308320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.308320 (E_RNA)
where:
Base-Base interactions energy: -144.541
where: short stacking energy: -67.128
Base-Backbone interact. energy: -0.004
local terms energy: -71.762714
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -9.894
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: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -165.106955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.106955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.106955 (E_RNA)
where:
Base-Base interactions energy: -95.896
where: short stacking energy: -50.695
Base-Backbone interact. energy: -0.002
local terms energy: -69.209197
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -98.128738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.128738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.128738 (E_RNA)
where:
Base-Base interactions energy: -46.526
where: short stacking energy: -38.270
Base-Backbone interact. energy: -0.101
local terms energy: -51.502059
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -94.226341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.226341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.226341 (E_RNA)
where:
Base-Base interactions energy: -38.402
where: short stacking energy: -38.402
Base-Backbone interact. energy: -0.006
local terms energy: -55.819010
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -99.668646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.668646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.668646 (E_RNA)
where:
Base-Base interactions energy: -39.467
where: short stacking energy: -39.467
Base-Backbone interact. energy: -0.165
local terms energy: -60.036017
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -101.943892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.943892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.943892 (E_RNA)
where:
Base-Base interactions energy: -51.316
where: short stacking energy: -35.428
Base-Backbone interact. energy: -0.073
local terms energy: -50.555326
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -4.205
tors. eta vs tors. theta energy: -8.140
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: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -90.241141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.241141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.241141 (E_RNA)
where:
Base-Base interactions energy: -46.484
where: short stacking energy: -37.384
Base-Backbone interact. energy: -0.022
local terms energy: -43.735070
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -4.798
flat angles P-C4'-P energy: -0.214
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: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -238.634328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.634328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.634328 (E_RNA)
where:
Base-Base interactions energy: -159.595
where: short stacking energy: -67.259
Base-Backbone interact. energy: -0.117
local terms energy: -78.921752
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -20.113
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: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -216.183672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.183672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.183672 (E_RNA)
where:
Base-Base interactions energy: -142.043
where: short stacking energy: -59.005
Base-Backbone interact. energy: -0.099
local terms energy: -74.041678
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -211.758924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.758924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.758924 (E_RNA)
where:
Base-Base interactions energy: -138.615
where: short stacking energy: -73.602
Base-Backbone interact. energy: -0.006
local terms energy: -73.136986
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -209.732300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.732300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.732300 (E_RNA)
where:
Base-Base interactions energy: -135.667
where: short stacking energy: -66.854
Base-Backbone interact. energy: -0.000
local terms energy: -74.064467
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -18.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -183.320291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.320291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.320291 (E_RNA)
where:
Base-Base interactions energy: -119.899
where: short stacking energy: -41.517
Base-Backbone interact. energy: -0.256
local terms energy: -63.165012
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -108.844922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.844922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.844922 (E_RNA)
where:
Base-Base interactions energy: -58.308
where: short stacking energy: -27.749
Base-Backbone interact. energy: -0.374
local terms energy: -50.163643
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: 1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -105.643587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.643587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.643587 (E_RNA)
where:
Base-Base interactions energy: -47.546
where: short stacking energy: -42.542
Base-Backbone interact. energy: -0.247
local terms energy: -57.849793
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -98.839925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.839925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.839925 (E_RNA)
where:
Base-Base interactions energy: -37.686
where: short stacking energy: -37.686
Base-Backbone interact. energy: -0.037
local terms energy: -61.116700
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -105.578276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.578276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.578276 (E_RNA)
where:
Base-Base interactions energy: -56.149
where: short stacking energy: -38.441
Base-Backbone interact. energy: -0.147
local terms energy: -49.282527
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -5.742
flat angles P-C4'-P energy: -9.966
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: 10, replica: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -85.953166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.953166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.953166 (E_RNA)
where:
Base-Base interactions energy: -34.100
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.014
local terms energy: -51.839120
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: -6.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -240.348125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.348125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.348125 (E_RNA)
where:
Base-Base interactions energy: -164.548
where: short stacking energy: -73.411
Base-Backbone interact. energy: -0.146
local terms energy: -75.653651
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -20.367
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: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -201.855533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.855533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.855533 (E_RNA)
where:
Base-Base interactions energy: -127.112
where: short stacking energy: -48.484
Base-Backbone interact. energy: -1.086
local terms energy: -73.657156
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -15.154
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: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -209.342219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.342219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.342219 (E_RNA)
where:
Base-Base interactions energy: -133.698
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.351
local terms energy: -75.293837
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -204.018543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.018543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.018543 (E_RNA)
where:
Base-Base interactions energy: -135.957
where: short stacking energy: -61.105
Base-Backbone interact. energy: 0.860
local terms energy: -68.921213
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -193.181579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.181579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.181579 (E_RNA)
where:
Base-Base interactions energy: -117.949
where: short stacking energy: -52.499
Base-Backbone interact. energy: -0.125
local terms energy: -75.107660
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -110.312009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.312009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.312009 (E_RNA)
where:
Base-Base interactions energy: -45.399
where: short stacking energy: -42.004
Base-Backbone interact. energy: -0.075
local terms energy: -64.838406
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -106.131657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.131657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.131657 (E_RNA)
where:
Base-Base interactions energy: -52.546
where: short stacking energy: -36.084
Base-Backbone interact. energy: -0.187
local terms energy: -53.398884
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -98.807616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.807616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.807616 (E_RNA)
where:
Base-Base interactions energy: -49.221
where: short stacking energy: -36.474
Base-Backbone interact. energy: -0.276
local terms energy: -49.310048
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -7.423
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: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -97.952618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.952618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.952618 (E_RNA)
where:
Base-Base interactions energy: -35.351
where: short stacking energy: -35.351
Base-Backbone interact. energy: -0.054
local terms energy: -62.547567
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -83.909815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.909815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.909815 (E_RNA)
where:
Base-Base interactions energy: -36.544
where: short stacking energy: -30.452
Base-Backbone interact. energy: 0.817
local terms energy: -48.182439
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -7.006
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -240.351101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.351101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.351101 (E_RNA)
where:
Base-Base interactions energy: -156.322
where: short stacking energy: -67.259
Base-Backbone interact. energy: -0.426
local terms energy: -83.602468
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -17.808
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: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -208.129493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.129493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.129493 (E_RNA)
where:
Base-Base interactions energy: -139.352
where: short stacking energy: -52.633
Base-Backbone interact. energy: 0.760
local terms energy: -69.537915
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -10.367
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: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -219.403746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.403746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.403746 (E_RNA)
where:
Base-Base interactions energy: -144.500
where: short stacking energy: -74.130
Base-Backbone interact. energy: -0.292
local terms energy: -74.611580
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -21.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -196.859113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.859113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.859113 (E_RNA)
where:
Base-Base interactions energy: -121.812
where: short stacking energy: -58.568
Base-Backbone interact. energy: -0.191
local terms energy: -74.855801
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -212.476396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.476396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.476396 (E_RNA)
where:
Base-Base interactions energy: -144.643
where: short stacking energy: -54.697
Base-Backbone interact. energy: -0.136
local terms energy: -67.697408
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -115.162298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.162298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.162298 (E_RNA)
where:
Base-Base interactions energy: -51.712
where: short stacking energy: -35.701
Base-Backbone interact. energy: -0.168
local terms energy: -63.282945
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -99.557170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.557170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.557170 (E_RNA)
where:
Base-Base interactions energy: -45.274
where: short stacking energy: -37.543
Base-Backbone interact. energy: 0.223
local terms energy: -54.506455
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -92.362268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.362268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.362268 (E_RNA)
where:
Base-Base interactions energy: -39.880
where: short stacking energy: -39.037
Base-Backbone interact. energy: -0.093
local terms energy: -52.388959
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -2.876
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: 9, replica: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -83.332483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.332483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.332483 (E_RNA)
where:
Base-Base interactions energy: -33.476
where: short stacking energy: -29.753
Base-Backbone interact. energy: -0.291
local terms energy: -49.566088
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -97.316606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.316606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.316606 (E_RNA)
where:
Base-Base interactions energy: -31.462
where: short stacking energy: -31.462
Base-Backbone interact. energy: -0.012
local terms energy: -65.842419
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -7.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -237.917325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.917325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.917325 (E_RNA)
where:
Base-Base interactions energy: -159.612
where: short stacking energy: -68.294
Base-Backbone interact. energy: -0.648
local terms energy: -77.657044
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -231.211642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.211642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.211642 (E_RNA)
where:
Base-Base interactions energy: -149.729
where: short stacking energy: -77.257
Base-Backbone interact. energy: -0.209
local terms energy: -81.272848
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -206.055684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.055684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.055684 (E_RNA)
where:
Base-Base interactions energy: -132.169
where: short stacking energy: -50.377
Base-Backbone interact. energy: -2.189
local terms energy: -71.698044
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -236.768563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.768563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.768563 (E_RNA)
where:
Base-Base interactions energy: -158.826
where: short stacking energy: -69.976
Base-Backbone interact. energy: -0.052
local terms energy: -77.890007
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -19.708
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: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -202.181117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.181117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.181117 (E_RNA)
where:
Base-Base interactions energy: -121.630
where: short stacking energy: -60.980
Base-Backbone interact. energy: -0.794
local terms energy: -79.757707
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -14.287
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: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -98.878036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.878036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.878036 (E_RNA)
where:
Base-Base interactions energy: -38.058
where: short stacking energy: -38.058
Base-Backbone interact. energy: -0.165
local terms energy: -60.654754
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -6.833
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: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -113.776587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.776587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.776587 (E_RNA)
where:
Base-Base interactions energy: -51.043
where: short stacking energy: -32.218
Base-Backbone interact. energy: -0.132
local terms energy: -62.601475
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -6.249
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: 2
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -101.977162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.977162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.977162 (E_RNA)
where:
Base-Base interactions energy: -49.891
where: short stacking energy: -38.886
Base-Backbone interact. energy: -0.058
local terms energy: -52.028544
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -10.511
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -96.469425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.469425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.469425 (E_RNA)
where:
Base-Base interactions energy: -40.336
where: short stacking energy: -40.336
Base-Backbone interact. energy: 1.162
local terms energy: -57.295550
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -10.919
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: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -106.751449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.751449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.751449 (E_RNA)
where:
Base-Base interactions energy: -54.565
where: short stacking energy: -45.903
Base-Backbone interact. energy: -0.038
local terms energy: -52.148944
where:
bonds (distance) C4'-P energy: -6.537
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -238.032417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.032417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.032417 (E_RNA)
where:
Base-Base interactions energy: -162.354
where: short stacking energy: -71.383
Base-Backbone interact. energy: -0.186
local terms energy: -75.492954
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -232.724330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.724330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.724330 (E_RNA)
where:
Base-Base interactions energy: -149.984
where: short stacking energy: -75.795
Base-Backbone interact. energy: -0.866
local terms energy: -81.874926
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -21.271
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: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -210.152799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.152799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.152799 (E_RNA)
where:
Base-Base interactions energy: -139.341
where: short stacking energy: -55.541
Base-Backbone interact. energy: -0.093
local terms energy: -70.719586
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -180.971993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.971993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.971993 (E_RNA)
where:
Base-Base interactions energy: -123.903
where: short stacking energy: -50.579
Base-Backbone interact. energy: -0.397
local terms energy: -56.671075
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -197.929796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.929796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.929796 (E_RNA)
where:
Base-Base interactions energy: -125.523
where: short stacking energy: -61.915
Base-Backbone interact. energy: -0.609
local terms energy: -71.798488
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -13.800
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: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -110.325862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.325862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.325862 (E_RNA)
where:
Base-Base interactions energy: -46.230
where: short stacking energy: -41.276
Base-Backbone interact. energy: -0.013
local terms energy: -64.083476
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -9.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -113.356113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.356113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.356113 (E_RNA)
where:
Base-Base interactions energy: -60.748
where: short stacking energy: -33.946
Base-Backbone interact. energy: 0.286
local terms energy: -52.894814
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -90.303047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.303047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.303047 (E_RNA)
where:
Base-Base interactions energy: -40.069
where: short stacking energy: -36.335
Base-Backbone interact. energy: -0.179
local terms energy: -50.054459
where:
bonds (distance) C4'-P energy: -5.582
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -5.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -90.047548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.047548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.047548 (E_RNA)
where:
Base-Base interactions energy: -32.279
where: short stacking energy: -27.326
Base-Backbone interact. energy: -0.196
local terms energy: -57.572475
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -2.892
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: 192
Temperature: 1.350000
Total energy: -110.334237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.334237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.334237 (E_RNA)
where:
Base-Base interactions energy: -66.301
where: short stacking energy: -27.702
Base-Backbone interact. energy: 0.326
local terms energy: -44.358990
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -241.485445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.485445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.485445 (E_RNA)
where:
Base-Base interactions energy: -165.227
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.166
local terms energy: -76.092285
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -8.648
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: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -204.506977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.506977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.506977 (E_RNA)
where:
Base-Base interactions energy: -136.870
where: short stacking energy: -70.052
Base-Backbone interact. energy: -0.164
local terms energy: -67.472995
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -219.636501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.636501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.636501 (E_RNA)
where:
Base-Base interactions energy: -149.178
where: short stacking energy: -82.170
Base-Backbone interact. energy: -0.002
local terms energy: -70.456625
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -182.939148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.939148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.939148 (E_RNA)
where:
Base-Base interactions energy: -111.583
where: short stacking energy: -60.301
Base-Backbone interact. energy: -0.061
local terms energy: -71.295542
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -13.074
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: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -177.037012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.037012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.037012 (E_RNA)
where:
Base-Base interactions energy: -119.393
where: short stacking energy: -43.602
Base-Backbone interact. energy: -0.426
local terms energy: -57.217980
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -7.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -96.342602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.342602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.342602 (E_RNA)
where:
Base-Base interactions energy: -40.606
where: short stacking energy: -40.606
Base-Backbone interact. energy: -0.103
local terms energy: -55.632752
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -8.511
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: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -113.192752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.192752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.192752 (E_RNA)
where:
Base-Base interactions energy: -52.719
where: short stacking energy: -44.460
Base-Backbone interact. energy: -0.142
local terms energy: -60.331098
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -93.153512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.153512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.153512 (E_RNA)
where:
Base-Base interactions energy: -42.153
where: short stacking energy: -31.500
Base-Backbone interact. energy: -0.112
local terms energy: -50.888369
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -91.047471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.047471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.047471 (E_RNA)
where:
Base-Base interactions energy: -40.241
where: short stacking energy: -29.845
Base-Backbone interact. energy: -0.093
local terms energy: -50.713623
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -0.083
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: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -87.730058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.730058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.730058 (E_RNA)
where:
Base-Base interactions energy: -36.243
where: short stacking energy: -35.667
Base-Backbone interact. energy: 1.735
local terms energy: -53.222678
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -9.310
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -10.983
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: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -236.984038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.984038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.984038 (E_RNA)
where:
Base-Base interactions energy: -160.077
where: short stacking energy: -66.225
Base-Backbone interact. energy: -0.133
local terms energy: -76.773958
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -18.055
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: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -211.946266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.946266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.946266 (E_RNA)
where:
Base-Base interactions energy: -138.738
where: short stacking energy: -61.304
Base-Backbone interact. energy: -0.237
local terms energy: -72.970720
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -16.090
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: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -211.819539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.819539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.819539 (E_RNA)
where:
Base-Base interactions energy: -130.644
where: short stacking energy: -57.935
Base-Backbone interact. energy: -0.102
local terms energy: -81.074339
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -198.724457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.724457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.724457 (E_RNA)
where:
Base-Base interactions energy: -127.743
where: short stacking energy: -63.703
Base-Backbone interact. energy: 1.744
local terms energy: -72.725617
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -170.181408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.181408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.181408 (E_RNA)
where:
Base-Base interactions energy: -102.430
where: short stacking energy: -40.857
Base-Backbone interact. energy: -1.930
local terms energy: -65.820656
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -107.069850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.069850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.069850 (E_RNA)
where:
Base-Base interactions energy: -45.339
where: short stacking energy: -40.347
Base-Backbone interact. energy: -0.065
local terms energy: -61.665948
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -105.812260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.812260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.812260 (E_RNA)
where:
Base-Base interactions energy: -50.341
where: short stacking energy: -40.372
Base-Backbone interact. energy: -0.483
local terms energy: -54.987865
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -2.631
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -92.823296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.823296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.823296 (E_RNA)
where:
Base-Base interactions energy: -34.874
where: short stacking energy: -29.897
Base-Backbone interact. energy: 0.832
local terms energy: -58.781468
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -2.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -89.532581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.532581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.532581 (E_RNA)
where:
Base-Base interactions energy: -33.469
where: short stacking energy: -31.165
Base-Backbone interact. energy: -0.335
local terms energy: -55.728812
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -80.283521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.283521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.283521 (E_RNA)
where:
Base-Base interactions energy: -24.915
where: short stacking energy: -24.915
Base-Backbone interact. energy: -0.201
local terms energy: -55.168107
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -239.283079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.283079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.283079 (E_RNA)
where:
Base-Base interactions energy: -166.710
where: short stacking energy: -69.319
Base-Backbone interact. energy: -0.153
local terms energy: -72.420863
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -7.686
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: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -208.987325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.987325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.987325 (E_RNA)
where:
Base-Base interactions energy: -129.289
where: short stacking energy: -63.981
Base-Backbone interact. energy: -0.041
local terms energy: -79.656821
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -205.971554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.971554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.971554 (E_RNA)
where:
Base-Base interactions energy: -137.688
where: short stacking energy: -62.581
Base-Backbone interact. energy: -0.359
local terms energy: -67.924332
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -177.917749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.917749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.917749 (E_RNA)
where:
Base-Base interactions energy: -119.734
where: short stacking energy: -50.716
Base-Backbone interact. energy: -0.478
local terms energy: -57.705536
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -10.796
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: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -194.822078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.822078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.822078 (E_RNA)
where:
Base-Base interactions energy: -120.390
where: short stacking energy: -58.803
Base-Backbone interact. energy: -1.351
local terms energy: -73.080859
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -12.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -106.364887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.364887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.364887 (E_RNA)
where:
Base-Base interactions energy: -52.030
where: short stacking energy: -41.142
Base-Backbone interact. energy: -0.223
local terms energy: -54.112058
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -1.840
tors. eta vs tors. theta energy: -8.687
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: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -102.947631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.947631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.947631 (E_RNA)
where:
Base-Base interactions energy: -46.665
where: short stacking energy: -39.589
Base-Backbone interact. energy: 0.123
local terms energy: -56.406052
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -94.607085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.607085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.607085 (E_RNA)
where:
Base-Base interactions energy: -38.922
where: short stacking energy: -38.922
Base-Backbone interact. energy: -0.113
local terms energy: -55.571753
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -10.532
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: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -90.595602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.595602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.595602 (E_RNA)
where:
Base-Base interactions energy: -33.930
where: short stacking energy: -30.689
Base-Backbone interact. energy: 0.511
local terms energy: -57.175738
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -89.243067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.243067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.243067 (E_RNA)
where:
Base-Base interactions energy: -42.930
where: short stacking energy: -42.026
Base-Backbone interact. energy: -0.246
local terms energy: -46.067375
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -9.517
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: 6
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -240.304850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.304850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.304850 (E_RNA)
where:
Base-Base interactions energy: -165.527
where: short stacking energy: -68.640
Base-Backbone interact. energy: -0.151
local terms energy: -74.627552
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -16.204
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: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -222.681776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.681776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.681776 (E_RNA)
where:
Base-Base interactions energy: -145.323
where: short stacking energy: -70.277
Base-Backbone interact. energy: -0.583
local terms energy: -76.775649
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -179.331612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.331612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.331612 (E_RNA)
where:
Base-Base interactions energy: -112.585
where: short stacking energy: -57.661
Base-Backbone interact. energy: -0.027
local terms energy: -66.719593
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -10.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -222.295399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.295399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.295399 (E_RNA)
where:
Base-Base interactions energy: -149.237
where: short stacking energy: -67.239
Base-Backbone interact. energy: -0.695
local terms energy: -72.363910
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -18.991
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: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -177.895090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.895090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.895090 (E_RNA)
where:
Base-Base interactions energy: -106.539
where: short stacking energy: -53.903
Base-Backbone interact. energy: -0.042
local terms energy: -71.313948
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -11.372
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: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -107.181370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.181370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.181370 (E_RNA)
where:
Base-Base interactions energy: -43.888
where: short stacking energy: -40.922
Base-Backbone interact. energy: 3.091
local terms energy: -66.383768
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -110.969392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.969392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.969392 (E_RNA)
where:
Base-Base interactions energy: -50.804
where: short stacking energy: -32.573
Base-Backbone interact. energy: -0.221
local terms energy: -59.944336
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -94.791274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.791274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.791274 (E_RNA)
where:
Base-Base interactions energy: -38.607
where: short stacking energy: -37.853
Base-Backbone interact. energy: -0.197
local terms energy: -55.986706
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -8.269
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: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -96.254412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.254412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.254412 (E_RNA)
where:
Base-Base interactions energy: -42.888
where: short stacking energy: -34.597
Base-Backbone interact. energy: -0.256
local terms energy: -53.110911
where:
bonds (distance) C4'-P energy: -8.304
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -75.960563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.960563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.960563 (E_RNA)
where:
Base-Base interactions energy: -25.547
where: short stacking energy: -20.116
Base-Backbone interact. energy: -0.123
local terms energy: -50.290461
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -8.299
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -242.897192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.897192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.897192 (E_RNA)
where:
Base-Base interactions energy: -162.793
where: short stacking energy: -73.633
Base-Backbone interact. energy: 0.240
local terms energy: -80.344167
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -207.984474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.984474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.984474 (E_RNA)
where:
Base-Base interactions energy: -132.656
where: short stacking energy: -59.889
Base-Backbone interact. energy: -0.185
local terms energy: -75.143150
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -200.704547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.704547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.704547 (E_RNA)
where:
Base-Base interactions energy: -130.404
where: short stacking energy: -66.078
Base-Backbone interact. energy: -1.221
local terms energy: -69.079775
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -9.823
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: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -215.184349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.184349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.184349 (E_RNA)
where:
Base-Base interactions energy: -146.657
where: short stacking energy: -61.544
Base-Backbone interact. energy: -0.136
local terms energy: -68.391827
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -7.327
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: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -192.121997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.121997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.121997 (E_RNA)
where:
Base-Base interactions energy: -120.777
where: short stacking energy: -62.417
Base-Backbone interact. energy: -0.123
local terms energy: -71.222736
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -121.879318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.879318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.879318 (E_RNA)
where:
Base-Base interactions energy: -66.628
where: short stacking energy: -29.127
Base-Backbone interact. energy: -0.221
local terms energy: -55.030169
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -108.481321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.481321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.481321 (E_RNA)
where:
Base-Base interactions energy: -52.360
where: short stacking energy: -36.983
Base-Backbone interact. energy: -0.668
local terms energy: -55.453058
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -6.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -96.892351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.892351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.892351 (E_RNA)
where:
Base-Base interactions energy: -45.393
where: short stacking energy: -22.640
Base-Backbone interact. energy: -1.364
local terms energy: -50.135126
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -84.089897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.089897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.089897 (E_RNA)
where:
Base-Base interactions energy: -36.306
where: short stacking energy: -29.085
Base-Backbone interact. energy: -0.054
local terms energy: -47.729214
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -86.843210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.843210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.843210 (E_RNA)
where:
Base-Base interactions energy: -40.114
where: short stacking energy: -30.916
Base-Backbone interact. energy: 0.008
local terms energy: -46.737506
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -239.350316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.350316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.350316 (E_RNA)
where:
Base-Base interactions energy: -163.162
where: short stacking energy: -68.031
Base-Backbone interact. energy: -0.250
local terms energy: -75.938825
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -215.488668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.488668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.488668 (E_RNA)
where:
Base-Base interactions energy: -140.453
where: short stacking energy: -64.550
Base-Backbone interact. energy: -0.725
local terms energy: -74.310594
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -17.066
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: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -219.922822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.922822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.922822 (E_RNA)
where:
Base-Base interactions energy: -149.815
where: short stacking energy: -56.680
Base-Backbone interact. energy: -0.046
local terms energy: -70.061659
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -14.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -186.961522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.961522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.961522 (E_RNA)
where:
Base-Base interactions energy: -118.185
where: short stacking energy: -47.228
Base-Backbone interact. energy: -0.164
local terms energy: -68.613217
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -10.893
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: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -200.572909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.572909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.572909 (E_RNA)
where:
Base-Base interactions energy: -127.323
where: short stacking energy: -63.495
Base-Backbone interact. energy: -0.245
local terms energy: -73.004961
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -9.914
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: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -115.310967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.310967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.310967 (E_RNA)
where:
Base-Base interactions energy: -52.783
where: short stacking energy: -51.860
Base-Backbone interact. energy: -0.060
local terms energy: -62.467882
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -8.106
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: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -97.068088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.068088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.068088 (E_RNA)
where:
Base-Base interactions energy: -41.881
where: short stacking energy: -31.672
Base-Backbone interact. energy: -0.161
local terms energy: -55.026375
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -9.159
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: 198
Temperature: 1.250000
Total energy: -89.701072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.701072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.701072 (E_RNA)
where:
Base-Base interactions energy: -40.004
where: short stacking energy: -36.865
Base-Backbone interact. energy: -0.169
local terms energy: -49.528318
where:
bonds (distance) C4'-P energy: -8.152
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -8.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -82.478482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.478482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.478482 (E_RNA)
where:
Base-Base interactions energy: -29.756
where: short stacking energy: -29.756
Base-Backbone interact. energy: 0.408
local terms energy: -53.130055
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -85.870253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.870253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.870253 (E_RNA)
where:
Base-Base interactions energy: -37.979
where: short stacking energy: -33.501
Base-Backbone interact. energy: -0.240
local terms energy: -47.651487
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -9.760
flat angles C4'-P-C4' energy: -5.143
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -235.386973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.386973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.386973 (E_RNA)
where:
Base-Base interactions energy: -157.023
where: short stacking energy: -65.676
Base-Backbone interact. energy: -0.057
local terms energy: -78.306331
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -10.282
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: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -232.530469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.530469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.530469 (E_RNA)
where:
Base-Base interactions energy: -151.370
where: short stacking energy: -59.885
Base-Backbone interact. energy: -0.062
local terms energy: -81.098214
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -197.510677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.510677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.510677 (E_RNA)
where:
Base-Base interactions energy: -128.547
where: short stacking energy: -57.612
Base-Backbone interact. energy: -0.022
local terms energy: -68.941460
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -204.966926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.966926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.966926 (E_RNA)
where:
Base-Base interactions energy: -126.189
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.321
local terms energy: -78.456940
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -17.355
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: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -198.882079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.882079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.882079 (E_RNA)
where:
Base-Base interactions energy: -130.218
where: short stacking energy: -66.350
Base-Backbone interact. energy: -0.056
local terms energy: -68.608367
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -123.886336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.886336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.886336 (E_RNA)
where:
Base-Base interactions energy: -57.276
where: short stacking energy: -57.276
Base-Backbone interact. energy: -0.001
local terms energy: -66.609951
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -105.136633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.136633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.136633 (E_RNA)
where:
Base-Base interactions energy: -54.881
where: short stacking energy: -50.353
Base-Backbone interact. energy: 0.549
local terms energy: -50.804435
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -91.470696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.470696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.470696 (E_RNA)
where:
Base-Base interactions energy: -36.483
where: short stacking energy: -36.367
Base-Backbone interact. energy: -0.188
local terms energy: -54.799891
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -93.616206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.616206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.616206 (E_RNA)
where:
Base-Base interactions energy: -43.395
where: short stacking energy: -44.195
Base-Backbone interact. energy: 1.647
local terms energy: -51.868265
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -92.894586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.894586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.894586 (E_RNA)
where:
Base-Base interactions energy: -48.376
where: short stacking energy: -25.339
Base-Backbone interact. energy: -1.047
local terms energy: -43.471156
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -4.198
tors. eta vs tors. theta energy: 1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -242.610618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.610618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.610618 (E_RNA)
where:
Base-Base interactions energy: -161.695
where: short stacking energy: -72.034
Base-Backbone interact. energy: -0.096
local terms energy: -80.819989
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -11.126
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: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -235.712951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.712951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.712951 (E_RNA)
where:
Base-Base interactions energy: -156.689
where: short stacking energy: -69.845
Base-Backbone interact. energy: -0.196
local terms energy: -78.828174
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -16.718
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: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -212.197700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.197700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.197700 (E_RNA)
where:
Base-Base interactions energy: -137.533
where: short stacking energy: -66.211
Base-Backbone interact. energy: -0.005
local terms energy: -74.659323
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -19.570
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: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -205.780469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.780469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.780469 (E_RNA)
where:
Base-Base interactions energy: -135.123
where: short stacking energy: -58.071
Base-Backbone interact. energy: -0.278
local terms energy: -70.379219
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -203.313375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.313375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.313375 (E_RNA)
where:
Base-Base interactions energy: -135.512
where: short stacking energy: -64.367
Base-Backbone interact. energy: -0.012
local terms energy: -67.789840
where:
bonds (distance) C4'-P energy: -7.882
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -102.498914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.498914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.498914 (E_RNA)
where:
Base-Base interactions energy: -43.784
where: short stacking energy: -41.382
Base-Backbone interact. energy: -0.132
local terms energy: -58.582919
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -6.466
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: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -96.062213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.062213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.062213 (E_RNA)
where:
Base-Base interactions energy: -36.623
where: short stacking energy: -34.176
Base-Backbone interact. energy: -0.213
local terms energy: -59.226047
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -95.597465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.597465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.597465 (E_RNA)
where:
Base-Base interactions energy: -44.989
where: short stacking energy: -26.497
Base-Backbone interact. energy: 3.769
local terms energy: -54.377101
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -84.868810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.868810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.868810 (E_RNA)
where:
Base-Base interactions energy: -34.517
where: short stacking energy: -28.409
Base-Backbone interact. energy: -0.206
local terms energy: -50.146003
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -76.945864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.945864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.945864 (E_RNA)
where:
Base-Base interactions energy: -26.942
where: short stacking energy: -25.616
Base-Backbone interact. energy: 0.498
local terms energy: -50.501308
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -9.518
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: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -240.311557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.311557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.311557 (E_RNA)
where:
Base-Base interactions energy: -161.130
where: short stacking energy: -71.126
Base-Backbone interact. energy: -0.161
local terms energy: -79.020203
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -12.751
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: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -225.534036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.534036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.534036 (E_RNA)
where:
Base-Base interactions energy: -152.270
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.421
local terms energy: -72.843373
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -14.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -210.933451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.933451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.933451 (E_RNA)
where:
Base-Base interactions energy: -136.490
where: short stacking energy: -65.672
Base-Backbone interact. energy: 0.110
local terms energy: -74.553737
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -206.570779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.570779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.570779 (E_RNA)
where:
Base-Base interactions energy: -135.302
where: short stacking energy: -67.416
Base-Backbone interact. energy: -0.195
local terms energy: -71.073634
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -202.830832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.830832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.830832 (E_RNA)
where:
Base-Base interactions energy: -136.616
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.423
local terms energy: -65.792446
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.503
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: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -114.184942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.184942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.184942 (E_RNA)
where:
Base-Base interactions energy: -47.228
where: short stacking energy: -46.673
Base-Backbone interact. energy: 0.686
local terms energy: -67.642365
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -93.329994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.329994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.329994 (E_RNA)
where:
Base-Base interactions energy: -32.437
where: short stacking energy: -32.437
Base-Backbone interact. energy: -0.187
local terms energy: -60.705739
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -8.126
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: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -92.702398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.702398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.702398 (E_RNA)
where:
Base-Base interactions energy: -48.145
where: short stacking energy: -33.665
Base-Backbone interact. energy: -0.079
local terms energy: -44.478552
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -8.049
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -0.809
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: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -98.619313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.619313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.619313 (E_RNA)
where:
Base-Base interactions energy: -41.752
where: short stacking energy: -29.935
Base-Backbone interact. energy: -0.110
local terms energy: -56.757368
where:
bonds (distance) C4'-P energy: -7.785
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -12.069
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: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -76.822133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.822133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.822133 (E_RNA)
where:
Base-Base interactions energy: -24.778
where: short stacking energy: -22.127
Base-Backbone interact. energy: 1.639
local terms energy: -53.683211
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -10.500
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: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -243.452966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.452966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.452966 (E_RNA)
where:
Base-Base interactions energy: -167.038
where: short stacking energy: -70.890
Base-Backbone interact. energy: -0.265
local terms energy: -76.149973
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -203.467647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.467647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.467647 (E_RNA)
where:
Base-Base interactions energy: -133.187
where: short stacking energy: -50.673
Base-Backbone interact. energy: -0.620
local terms energy: -69.660446
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -10.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -206.330316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.330316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.330316 (E_RNA)
where:
Base-Base interactions energy: -135.789
where: short stacking energy: -65.764
Base-Backbone interact. energy: -0.002
local terms energy: -70.538990
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -193.816301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.816301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.816301 (E_RNA)
where:
Base-Base interactions energy: -125.784
where: short stacking energy: -57.848
Base-Backbone interact. energy: -0.370
local terms energy: -67.661967
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -201.575583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.575583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.575583 (E_RNA)
where:
Base-Base interactions energy: -128.966
where: short stacking energy: -61.091
Base-Backbone interact. energy: -0.760
local terms energy: -71.848882
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -19.092
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: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -107.374576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.374576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.374576 (E_RNA)
where:
Base-Base interactions energy: -54.774
where: short stacking energy: -50.320
Base-Backbone interact. energy: 0.140
local terms energy: -52.740053
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -100.212279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.212279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.212279 (E_RNA)
where:
Base-Base interactions energy: -47.872
where: short stacking energy: -45.620
Base-Backbone interact. energy: -0.121
local terms energy: -52.219882
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: -9.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -93.847351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.847351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.847351 (E_RNA)
where:
Base-Base interactions energy: -37.150
where: short stacking energy: -26.674
Base-Backbone interact. energy: -0.556
local terms energy: -56.141318
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -85.254173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.254173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.254173 (E_RNA)
where:
Base-Base interactions energy: -29.613
where: short stacking energy: -29.613
Base-Backbone interact. energy: -0.143
local terms energy: -55.498315
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -90.421201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.421201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.421201 (E_RNA)
where:
Base-Base interactions energy: -38.172
where: short stacking energy: -32.878
Base-Backbone interact. energy: 0.800
local terms energy: -53.048969
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -249.104344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.104344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.104344 (E_RNA)
where:
Base-Base interactions energy: -163.581
where: short stacking energy: -68.052
Base-Backbone interact. energy: -0.153
local terms energy: -85.370341
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -204.923427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.923427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.923427 (E_RNA)
where:
Base-Base interactions energy: -139.581
where: short stacking energy: -52.827
Base-Backbone interact. energy: -0.495
local terms energy: -64.847750
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -215.381056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.381056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.381056 (E_RNA)
where:
Base-Base interactions energy: -136.428
where: short stacking energy: -75.955
Base-Backbone interact. energy: -0.007
local terms energy: -78.945880
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -201.204255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.204255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.204255 (E_RNA)
where:
Base-Base interactions energy: -126.318
where: short stacking energy: -69.494
Base-Backbone interact. energy: -0.595
local terms energy: -74.290830
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -12.268
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: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -204.803361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.803361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.803361 (E_RNA)
where:
Base-Base interactions energy: -128.892
where: short stacking energy: -58.488
Base-Backbone interact. energy: -0.177
local terms energy: -75.734543
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -19.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -99.536971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.536971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.536971 (E_RNA)
where:
Base-Base interactions energy: -43.401
where: short stacking energy: -29.030
Base-Backbone interact. energy: -0.209
local terms energy: -55.926182
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -5.887
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: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -104.417425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.417425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.417425 (E_RNA)
where:
Base-Base interactions energy: -55.394
where: short stacking energy: -32.902
Base-Backbone interact. energy: -0.560
local terms energy: -48.462640
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -7.878
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -91.905537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.905537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.905537 (E_RNA)
where:
Base-Base interactions energy: -46.761
where: short stacking energy: -33.199
Base-Backbone interact. energy: -0.385
local terms energy: -44.759550
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -8.448
flat angles C4'-P-C4' energy: -7.399
flat angles P-C4'-P energy: -7.600
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: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -90.468714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.468714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.468714 (E_RNA)
where:
Base-Base interactions energy: -29.802
where: short stacking energy: -29.802
Base-Backbone interact. energy: -0.046
local terms energy: -60.621069
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -87.280437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.280437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.280437 (E_RNA)
where:
Base-Base interactions energy: -36.347
where: short stacking energy: -18.521
Base-Backbone interact. energy: -0.580
local terms energy: -50.353432
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -9.751
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -210.830180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.830180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.830180 (E_RNA)
where:
Base-Base interactions energy: -145.929
where: short stacking energy: -60.073
Base-Backbone interact. energy: -0.115
local terms energy: -64.785900
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -223.489480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.489480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.489480 (E_RNA)
where:
Base-Base interactions energy: -153.640
where: short stacking energy: -62.784
Base-Backbone interact. energy: -0.786
local terms energy: -69.062816
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -12.999
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: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -210.715573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.715573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.715573 (E_RNA)
where:
Base-Base interactions energy: -140.436
where: short stacking energy: -65.785
Base-Backbone interact. energy: -0.239
local terms energy: -70.040834
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -213.227871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.227871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.227871 (E_RNA)
where:
Base-Base interactions energy: -136.893
where: short stacking energy: -72.294
Base-Backbone interact. energy: -0.016
local terms energy: -76.318882
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -191.411598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.411598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.411598 (E_RNA)
where:
Base-Base interactions energy: -126.258
where: short stacking energy: -63.643
Base-Backbone interact. energy: -0.049
local terms energy: -65.105308
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -13.231
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: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -111.875307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.875307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.875307 (E_RNA)
where:
Base-Base interactions energy: -53.428
where: short stacking energy: -39.717
Base-Backbone interact. energy: -1.450
local terms energy: -56.997189
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -8.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -98.475666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.475666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.475666 (E_RNA)
where:
Base-Base interactions energy: -46.045
where: short stacking energy: -42.188
Base-Backbone interact. energy: -0.037
local terms energy: -52.394129
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -0.832
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: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -97.230631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.230631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.230631 (E_RNA)
where:
Base-Base interactions energy: -43.611
where: short stacking energy: -24.815
Base-Backbone interact. energy: -0.783
local terms energy: -52.836630
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.370
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: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -82.236343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.236343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.236343 (E_RNA)
where:
Base-Base interactions energy: -25.709
where: short stacking energy: -25.709
Base-Backbone interact. energy: -0.113
local terms energy: -56.414274
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -89.651573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.651573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.651573 (E_RNA)
where:
Base-Base interactions energy: -33.261
where: short stacking energy: -35.561
Base-Backbone interact. energy: -0.540
local terms energy: -55.850497
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -229.248894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.248894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.248894 (E_RNA)
where:
Base-Base interactions energy: -154.508
where: short stacking energy: -66.487
Base-Backbone interact. energy: -0.200
local terms energy: -74.541104
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -235.570702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.570702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.570702 (E_RNA)
where:
Base-Base interactions energy: -157.917
where: short stacking energy: -58.377
Base-Backbone interact. energy: -0.115
local terms energy: -77.538852
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -15.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -199.850815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.850815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.850815 (E_RNA)
where:
Base-Base interactions energy: -129.439
where: short stacking energy: -54.798
Base-Backbone interact. energy: -0.304
local terms energy: -70.107301
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -209.492583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.492583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.492583 (E_RNA)
where:
Base-Base interactions energy: -137.273
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.269
local terms energy: -71.950086
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -195.779479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.779479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.779479 (E_RNA)
where:
Base-Base interactions energy: -119.974
where: short stacking energy: -67.589
Base-Backbone interact. energy: -0.046
local terms energy: -75.759705
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -9.267
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: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -105.302693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.302693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.302693 (E_RNA)
where:
Base-Base interactions energy: -53.785
where: short stacking energy: -42.945
Base-Backbone interact. energy: -0.086
local terms energy: -51.431143
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -103.064375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.064375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.064375 (E_RNA)
where:
Base-Base interactions energy: -41.825
where: short stacking energy: -33.376
Base-Backbone interact. energy: -0.382
local terms energy: -60.856980
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -9.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -93.206027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.206027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.206027 (E_RNA)
where:
Base-Base interactions energy: -32.556
where: short stacking energy: -32.556
Base-Backbone interact. energy: -0.098
local terms energy: -60.552312
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -84.252833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.252833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.252833 (E_RNA)
where:
Base-Base interactions energy: -31.984
where: short stacking energy: -22.273
Base-Backbone interact. energy: -0.123
local terms energy: -52.146287
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: 1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -91.747829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.747829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.747829 (E_RNA)
where:
Base-Base interactions energy: -42.635
where: short stacking energy: -30.975
Base-Backbone interact. energy: -0.228
local terms energy: -48.884755
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -234.654280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.654280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.654280 (E_RNA)
where:
Base-Base interactions energy: -158.447
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.423
local terms energy: -75.784937
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -222.696300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.696300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.696300 (E_RNA)
where:
Base-Base interactions energy: -153.260
where: short stacking energy: -68.322
Base-Backbone interact. energy: -0.167
local terms energy: -69.269227
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -214.195154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.195154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.195154 (E_RNA)
where:
Base-Base interactions energy: -144.635
where: short stacking energy: -74.810
Base-Backbone interact. energy: -0.011
local terms energy: -69.548555
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -19.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -203.751269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.751269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.751269 (E_RNA)
where:
Base-Base interactions energy: -141.704
where: short stacking energy: -55.405
Base-Backbone interact. energy: -1.104
local terms energy: -60.943976
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -204.510151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.510151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.510151 (E_RNA)
where:
Base-Base interactions energy: -134.423
where: short stacking energy: -62.494
Base-Backbone interact. energy: -0.092
local terms energy: -69.995646
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -17.089
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: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -106.374259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.374259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.374259 (E_RNA)
where:
Base-Base interactions energy: -47.203
where: short stacking energy: -41.451
Base-Backbone interact. energy: -0.121
local terms energy: -59.051192
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -2.168
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: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -92.675093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.675093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.675093 (E_RNA)
where:
Base-Base interactions energy: -32.923
where: short stacking energy: -27.617
Base-Backbone interact. energy: -0.198
local terms energy: -59.554632
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -9.007
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: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -96.785572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.785572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.785572 (E_RNA)
where:
Base-Base interactions energy: -40.305
where: short stacking energy: -29.802
Base-Backbone interact. energy: -0.137
local terms energy: -56.342906
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -85.773043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.773043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.773043 (E_RNA)
where:
Base-Base interactions energy: -32.959
where: short stacking energy: -29.279
Base-Backbone interact. energy: -0.205
local terms energy: -52.609119
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -80.230984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.230984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.230984 (E_RNA)
where:
Base-Base interactions energy: -34.885
where: short stacking energy: -29.882
Base-Backbone interact. energy: -0.205
local terms energy: -45.141103
where:
bonds (distance) C4'-P energy: -5.897
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -226.800340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.800340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.800340 (E_RNA)
where:
Base-Base interactions energy: -150.512
where: short stacking energy: -63.307
Base-Backbone interact. energy: -0.157
local terms energy: -76.131104
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -223.254307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.254307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.254307 (E_RNA)
where:
Base-Base interactions energy: -142.013
where: short stacking energy: -76.444
Base-Backbone interact. energy: -0.058
local terms energy: -81.183149
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -223.915231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.915231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.915231 (E_RNA)
where:
Base-Base interactions energy: -145.439
where: short stacking energy: -76.403
Base-Backbone interact. energy: -0.010
local terms energy: -78.466229
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -21.924
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: 4, replica: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -201.074304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.074304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.074304 (E_RNA)
where:
Base-Base interactions energy: -133.396
where: short stacking energy: -59.593
Base-Backbone interact. energy: 0.632
local terms energy: -68.311180
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -7.424
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: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -203.236617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.236617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.236617 (E_RNA)
where:
Base-Base interactions energy: -133.644
where: short stacking energy: -51.840
Base-Backbone interact. energy: -0.387
local terms energy: -69.206185
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -103.842918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.842918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.842918 (E_RNA)
where:
Base-Base interactions energy: -50.775
where: short stacking energy: -33.096
Base-Backbone interact. energy: -0.914
local terms energy: -52.153577
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -1.859
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -95.576340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.576340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.576340 (E_RNA)
where:
Base-Base interactions energy: -44.453
where: short stacking energy: -22.986
Base-Backbone interact. energy: -0.207
local terms energy: -50.916414
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: 0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -93.337263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.337263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.337263 (E_RNA)
where:
Base-Base interactions energy: -42.770
where: short stacking energy: -37.353
Base-Backbone interact. energy: -0.197
local terms energy: -50.370035
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -88.320734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.320734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.320734 (E_RNA)
where:
Base-Base interactions energy: -41.502
where: short stacking energy: -30.380
Base-Backbone interact. energy: -0.212
local terms energy: -46.606090
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -82.788586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.788586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.788586 (E_RNA)
where:
Base-Base interactions energy: -36.886
where: short stacking energy: -34.813
Base-Backbone interact. energy: -0.042
local terms energy: -45.860314
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: 1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -234.337537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.337537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.337537 (E_RNA)
where:
Base-Base interactions energy: -154.107
where: short stacking energy: -63.153
Base-Backbone interact. energy: -0.305
local terms energy: -79.925527
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -213.771290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.771290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.771290 (E_RNA)
where:
Base-Base interactions energy: -137.393
where: short stacking energy: -71.629
Base-Backbone interact. energy: -0.763
local terms energy: -75.615196
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -14.309
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: 208
Temperature: 1.000000
Total energy: -223.231841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.231841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.231841 (E_RNA)
where:
Base-Base interactions energy: -149.046
where: short stacking energy: -69.003
Base-Backbone interact. energy: -0.134
local terms energy: -74.051777
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -14.322
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: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -201.372196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.372196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.372196 (E_RNA)
where:
Base-Base interactions energy: -129.473
where: short stacking energy: -63.888
Base-Backbone interact. energy: -0.022
local terms energy: -71.877040
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -19.485
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: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -195.567817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.567817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.567817 (E_RNA)
where:
Base-Base interactions energy: -129.004
where: short stacking energy: -60.898
Base-Backbone interact. energy: -0.377
local terms energy: -66.187477
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -13.347
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: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -97.620932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.620932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.620932 (E_RNA)
where:
Base-Base interactions energy: -41.610
where: short stacking energy: -37.754
Base-Backbone interact. energy: 1.496
local terms energy: -57.507322
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -5.142
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: 7, replica: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -95.119932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.119932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.119932 (E_RNA)
where:
Base-Base interactions energy: -38.507
where: short stacking energy: -32.966
Base-Backbone interact. energy: -0.295
local terms energy: -56.317974
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -92.726335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.726335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.726335 (E_RNA)
where:
Base-Base interactions energy: -31.613
where: short stacking energy: -31.259
Base-Backbone interact. energy: -0.040
local terms energy: -61.073447
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -10.979
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: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -85.214152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.214152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.214152 (E_RNA)
where:
Base-Base interactions energy: -32.431
where: short stacking energy: -30.824
Base-Backbone interact. energy: -0.258
local terms energy: -52.524787
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -6.729
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -77.936860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.936860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.936860 (E_RNA)
where:
Base-Base interactions energy: -25.874
where: short stacking energy: -25.030
Base-Backbone interact. energy: 0.009
local terms energy: -52.071419
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -3.096
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -238.068506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.068506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.068506 (E_RNA)
where:
Base-Base interactions energy: -161.687
where: short stacking energy: -68.626
Base-Backbone interact. energy: -0.053
local terms energy: -76.328251
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -222.440885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.440885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.440885 (E_RNA)
where:
Base-Base interactions energy: -146.947
where: short stacking energy: -67.017
Base-Backbone interact. energy: -0.665
local terms energy: -74.829194
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -7.649
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: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -214.865200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.865200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.865200 (E_RNA)
where:
Base-Base interactions energy: -140.129
where: short stacking energy: -71.375
Base-Backbone interact. energy: 0.369
local terms energy: -75.104640
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -17.351
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: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -195.349213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.349213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.349213 (E_RNA)
where:
Base-Base interactions energy: -127.956
where: short stacking energy: -49.199
Base-Backbone interact. energy: -0.121
local terms energy: -67.271353
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -190.678104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.678104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.678104 (E_RNA)
where:
Base-Base interactions energy: -116.205
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.450
local terms energy: -74.023590
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -15.440
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: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -112.990955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.990955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.990955 (E_RNA)
where:
Base-Base interactions energy: -51.078
where: short stacking energy: -50.483
Base-Backbone interact. energy: -0.111
local terms energy: -61.802528
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -104.463808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.463808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.463808 (E_RNA)
where:
Base-Base interactions energy: -53.043
where: short stacking energy: -52.598
Base-Backbone interact. energy: -0.003
local terms energy: -51.417735
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -0.271
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -89.242772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.242772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.242772 (E_RNA)
where:
Base-Base interactions energy: -36.259
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.074
local terms energy: -52.909404
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -6.067
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: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -87.370751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.370751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.370751 (E_RNA)
where:
Base-Base interactions energy: -38.921
where: short stacking energy: -31.898
Base-Backbone interact. energy: -0.221
local terms energy: -48.228399
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -2.988
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -73.027956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.027956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.027956 (E_RNA)
where:
Base-Base interactions energy: -24.128
where: short stacking energy: -24.128
Base-Backbone interact. energy: 0.292
local terms energy: -49.192309
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: 0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -239.629457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.629457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.629457 (E_RNA)
where:
Base-Base interactions energy: -160.879
where: short stacking energy: -67.889
Base-Backbone interact. energy: -0.225
local terms energy: -78.525421
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -215.286395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.286395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.286395 (E_RNA)
where:
Base-Base interactions energy: -141.746
where: short stacking energy: -65.286
Base-Backbone interact. energy: -0.578
local terms energy: -72.962883
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -16.055
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: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -219.124544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.124544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.124544 (E_RNA)
where:
Base-Base interactions energy: -136.347
where: short stacking energy: -76.262
Base-Backbone interact. energy: -0.065
local terms energy: -82.712861
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -207.080855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.080855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.080855 (E_RNA)
where:
Base-Base interactions energy: -144.435
where: short stacking energy: -64.676
Base-Backbone interact. energy: -1.056
local terms energy: -61.590124
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -7.737
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -198.479135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.479135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.479135 (E_RNA)
where:
Base-Base interactions energy: -130.181
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.366
local terms energy: -67.932412
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -15.898
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: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -120.574572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.574572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.574572 (E_RNA)
where:
Base-Base interactions energy: -59.133
where: short stacking energy: -45.558
Base-Backbone interact. energy: -0.020
local terms energy: -61.421309
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -109.456347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.456347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.456347 (E_RNA)
where:
Base-Base interactions energy: -49.629
where: short stacking energy: -36.208
Base-Backbone interact. energy: -0.122
local terms energy: -59.705029
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -94.552178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.552178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.552178 (E_RNA)
where:
Base-Base interactions energy: -38.872
where: short stacking energy: -38.872
Base-Backbone interact. energy: -0.380
local terms energy: -55.300589
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -10.573
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: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -83.544647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.544647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.544647 (E_RNA)
where:
Base-Base interactions energy: -44.167
where: short stacking energy: -28.596
Base-Backbone interact. energy: 0.851
local terms energy: -40.228377
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -0.453
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: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -82.289317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.289317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.289317 (E_RNA)
where:
Base-Base interactions energy: -37.015
where: short stacking energy: -23.376
Base-Backbone interact. energy: -0.340
local terms energy: -44.934424
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: 0.186
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: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -239.900132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.900132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.900132 (E_RNA)
where:
Base-Base interactions energy: -165.246
where: short stacking energy: -66.818
Base-Backbone interact. energy: -0.142
local terms energy: -74.512097
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -15.598
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: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -221.599105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.599105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.599105 (E_RNA)
where:
Base-Base interactions energy: -141.795
where: short stacking energy: -58.942
Base-Backbone interact. energy: -0.093
local terms energy: -79.711769
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -186.821368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.821368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.821368 (E_RNA)
where:
Base-Base interactions energy: -115.791
where: short stacking energy: -48.239
Base-Backbone interact. energy: 1.420
local terms energy: -72.450166
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -173.440191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.440191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.440191 (E_RNA)
where:
Base-Base interactions energy: -103.091
where: short stacking energy: -50.726
Base-Backbone interact. energy: -0.126
local terms energy: -70.224022
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -196.478306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.478306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.478306 (E_RNA)
where:
Base-Base interactions energy: -124.849
where: short stacking energy: -57.350
Base-Backbone interact. energy: -0.116
local terms energy: -71.512764
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -165.173935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.173935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.173935 (E_RNA)
where:
Base-Base interactions energy: -100.141
where: short stacking energy: -34.974
Base-Backbone interact. energy: -0.324
local terms energy: -64.708144
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -9.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -98.449548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.449548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.449548 (E_RNA)
where:
Base-Base interactions energy: -42.074
where: short stacking energy: -40.199
Base-Backbone interact. energy: -0.291
local terms energy: -56.084149
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -9.344
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: 211
Temperature: 1.250000
Total energy: -97.940369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.940369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.940369 (E_RNA)
where:
Base-Base interactions energy: -44.412
where: short stacking energy: -30.585
Base-Backbone interact. energy: -0.007
local terms energy: -53.520907
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -2.726
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: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -84.182641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.182641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.182641 (E_RNA)
where:
Base-Base interactions energy: -32.768
where: short stacking energy: -31.611
Base-Backbone interact. energy: -0.143
local terms energy: -51.271850
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -81.601175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.601175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.601175 (E_RNA)
where:
Base-Base interactions energy: -37.486
where: short stacking energy: -32.484
Base-Backbone interact. energy: 0.308
local terms energy: -44.423223
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: 0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -249.469764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.469764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.469764 (E_RNA)
where:
Base-Base interactions energy: -168.994
where: short stacking energy: -71.454
Base-Backbone interact. energy: -0.257
local terms energy: -80.219334
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -14.189
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: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -221.241215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.241215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.241215 (E_RNA)
where:
Base-Base interactions energy: -146.160
where: short stacking energy: -73.252
Base-Backbone interact. energy: -0.093
local terms energy: -74.988343
where:
bonds (distance) C4'-P energy: -9.241
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -23.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -176.080448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.080448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.080448 (E_RNA)
where:
Base-Base interactions energy: -108.540
where: short stacking energy: -59.504
Base-Backbone interact. energy: -0.021
local terms energy: -67.519426
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -209.855566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.855566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.855566 (E_RNA)
where:
Base-Base interactions energy: -144.119
where: short stacking energy: -48.411
Base-Backbone interact. energy: -0.117
local terms energy: -65.618863
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -185.482467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.482467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.482467 (E_RNA)
where:
Base-Base interactions energy: -115.748
where: short stacking energy: -64.685
Base-Backbone interact. energy: 0.127
local terms energy: -69.861729
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -14.312
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: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -184.257373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.257373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.257373 (E_RNA)
where:
Base-Base interactions energy: -113.675
where: short stacking energy: -55.455
Base-Backbone interact. energy: -1.728
local terms energy: -68.855122
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -10.664
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: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -94.545391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.545391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.545391 (E_RNA)
where:
Base-Base interactions energy: -42.635
where: short stacking energy: -38.582
Base-Backbone interact. energy: 0.107
local terms energy: -52.016772
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -95.940133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.940133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.940133 (E_RNA)
where:
Base-Base interactions energy: -38.046
where: short stacking energy: -29.699
Base-Backbone interact. energy: 0.522
local terms energy: -58.415833
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -83.740348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.740348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.740348 (E_RNA)
where:
Base-Base interactions energy: -26.333
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.358
local terms energy: -57.049812
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -84.812925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.812925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.812925 (E_RNA)
where:
Base-Base interactions energy: -35.826
where: short stacking energy: -35.826
Base-Backbone interact. energy: -0.022
local terms energy: -48.964291
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -5.244
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: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -250.862106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.862106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.862106 (E_RNA)
where:
Base-Base interactions energy: -170.381
where: short stacking energy: -72.897
Base-Backbone interact. energy: -0.745
local terms energy: -79.736846
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -224.030159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.030159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.030159 (E_RNA)
where:
Base-Base interactions energy: -147.932
where: short stacking energy: -71.369
Base-Backbone interact. energy: -0.646
local terms energy: -75.452024
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -22.425
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: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -175.948650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.948650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.948650 (E_RNA)
where:
Base-Base interactions energy: -108.018
where: short stacking energy: -64.275
Base-Backbone interact. energy: -0.005
local terms energy: -67.925152
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -15.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -198.972174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.972174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.972174 (E_RNA)
where:
Base-Base interactions energy: -126.248
where: short stacking energy: -72.382
Base-Backbone interact. energy: -0.001
local terms energy: -72.722357
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -194.632983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.632983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.632983 (E_RNA)
where:
Base-Base interactions energy: -128.493
where: short stacking energy: -51.342
Base-Backbone interact. energy: -0.196
local terms energy: -65.943635
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -11.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -174.890102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.890102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.890102 (E_RNA)
where:
Base-Base interactions energy: -104.939
where: short stacking energy: -62.876
Base-Backbone interact. energy: -0.004
local terms energy: -69.947626
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -16.771
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: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -100.973194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.973194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.973194 (E_RNA)
where:
Base-Base interactions energy: -50.233
where: short stacking energy: -24.243
Base-Backbone interact. energy: -0.147
local terms energy: -50.593018
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -97.554448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.554448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.554448 (E_RNA)
where:
Base-Base interactions energy: -42.519
where: short stacking energy: -38.955
Base-Backbone interact. energy: -0.090
local terms energy: -54.945152
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -8.882
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: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -83.077170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.077170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.077170 (E_RNA)
where:
Base-Base interactions energy: -34.566
where: short stacking energy: -30.877
Base-Backbone interact. energy: -0.243
local terms energy: -48.268214
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -7.060
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -79.748490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.748490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.748490 (E_RNA)
where:
Base-Base interactions energy: -34.034
where: short stacking energy: -25.451
Base-Backbone interact. energy: 2.584
local terms energy: -48.299061
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -236.518873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.518873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.518873 (E_RNA)
where:
Base-Base interactions energy: -159.055
where: short stacking energy: -80.860
Base-Backbone interact. energy: -0.031
local terms energy: -77.433038
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -234.875559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.875559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.875559 (E_RNA)
where:
Base-Base interactions energy: -164.568
where: short stacking energy: -74.255
Base-Backbone interact. energy: -0.179
local terms energy: -70.128654
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -203.968005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.968005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.968005 (E_RNA)
where:
Base-Base interactions energy: -137.514
where: short stacking energy: -71.753
Base-Backbone interact. energy: -0.011
local terms energy: -66.443170
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -5.231
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: 4, replica: 8
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -184.221152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.221152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.221152 (E_RNA)
where:
Base-Base interactions energy: -111.877
where: short stacking energy: -61.919
Base-Backbone interact. energy: -0.012
local terms energy: -72.332129
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -11.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -201.377288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.377288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.377288 (E_RNA)
where:
Base-Base interactions energy: -127.032
where: short stacking energy: -57.275
Base-Backbone interact. energy: -0.030
local terms energy: -74.315359
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -21.067
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: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -159.751633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.751633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.751633 (E_RNA)
where:
Base-Base interactions energy: -99.033
where: short stacking energy: -54.319
Base-Backbone interact. energy: 0.197
local terms energy: -60.915177
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -99.871526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.871526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.871526 (E_RNA)
where:
Base-Base interactions energy: -41.726
where: short stacking energy: -30.032
Base-Backbone interact. energy: -0.232
local terms energy: -57.913733
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -2.909
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -87.009906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.009906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.009906 (E_RNA)
where:
Base-Base interactions energy: -42.283
where: short stacking energy: -41.843
Base-Backbone interact. energy: -0.182
local terms energy: -44.545355
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -8.727
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -2.545
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -90.998571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.998571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.998571 (E_RNA)
where:
Base-Base interactions energy: -40.324
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.149
local terms energy: -50.525984
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -75.672596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.672596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.672596 (E_RNA)
where:
Base-Base interactions energy: -32.747
where: short stacking energy: -31.577
Base-Backbone interact. energy: -0.077
local terms energy: -42.848388
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -2.405
tors. eta vs tors. theta energy: -1.112
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: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -227.536482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.536482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.536482 (E_RNA)
where:
Base-Base interactions energy: -144.235
where: short stacking energy: -76.541
Base-Backbone interact. energy: -0.607
local terms energy: -82.693901
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -21.839
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: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -229.606178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.606178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.606178 (E_RNA)
where:
Base-Base interactions energy: -151.770
where: short stacking energy: -63.181
Base-Backbone interact. energy: -0.026
local terms energy: -77.810567
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -191.671395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.671395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.671395 (E_RNA)
where:
Base-Base interactions energy: -121.507
where: short stacking energy: -67.118
Base-Backbone interact. energy: -0.057
local terms energy: -70.107317
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -14.388
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: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -186.526838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.526838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.526838 (E_RNA)
where:
Base-Base interactions energy: -121.308
where: short stacking energy: -53.691
Base-Backbone interact. energy: -0.222
local terms energy: -64.996591
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -11.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -187.430920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.430920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.430920 (E_RNA)
where:
Base-Base interactions energy: -126.352
where: short stacking energy: -57.965
Base-Backbone interact. energy: -1.291
local terms energy: -59.787858
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -98.833808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.833808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.833808 (E_RNA)
where:
Base-Base interactions energy: -42.396
where: short stacking energy: -40.207
Base-Backbone interact. energy: -0.302
local terms energy: -56.135428
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -148.000015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.000015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.000015 (E_RNA)
where:
Base-Base interactions energy: -91.485
where: short stacking energy: -40.254
Base-Backbone interact. energy: -0.312
local terms energy: -56.203020
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -93.684597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.684597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.684597 (E_RNA)
where:
Base-Base interactions energy: -38.188
where: short stacking energy: -29.504
Base-Backbone interact. energy: -0.082
local terms energy: -55.414499
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -8.669
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: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -91.033885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.033885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.033885 (E_RNA)
where:
Base-Base interactions energy: -38.394
where: short stacking energy: -32.285
Base-Backbone interact. energy: -0.104
local terms energy: -52.535821
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -76.570496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.570496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.570496 (E_RNA)
where:
Base-Base interactions energy: -32.494
where: short stacking energy: -21.246
Base-Backbone interact. energy: 0.222
local terms energy: -44.298648
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -6.631
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: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -209.871351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.871351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.871351 (E_RNA)
where:
Base-Base interactions energy: -136.185
where: short stacking energy: -57.138
Base-Backbone interact. energy: -0.158
local terms energy: -73.529020
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -12.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -222.817803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.817803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.817803 (E_RNA)
where:
Base-Base interactions energy: -142.281
where: short stacking energy: -66.618
Base-Backbone interact. energy: -0.044
local terms energy: -80.493033
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -183.155783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.155783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.155783 (E_RNA)
where:
Base-Base interactions energy: -113.830
where: short stacking energy: -58.765
Base-Backbone interact. energy: -1.464
local terms energy: -67.861837
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -174.980192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.980192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.980192 (E_RNA)
where:
Base-Base interactions energy: -115.120
where: short stacking energy: -51.222
Base-Backbone interact. energy: -0.160
local terms energy: -59.699863
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -10.855
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: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -171.080676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.080676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.080676 (E_RNA)
where:
Base-Base interactions energy: -108.188
where: short stacking energy: -38.582
Base-Backbone interact. energy: -0.231
local terms energy: -62.662400
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -103.156490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.156490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.156490 (E_RNA)
where:
Base-Base interactions energy: -50.830
where: short stacking energy: -39.349
Base-Backbone interact. energy: -0.013
local terms energy: -52.313282
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -141.255633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.255633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.255633 (E_RNA)
where:
Base-Base interactions energy: -91.023
where: short stacking energy: -42.515
Base-Backbone interact. energy: -1.010
local terms energy: -49.222594
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -93.848892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.848892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.848892 (E_RNA)
where:
Base-Base interactions energy: -35.274
where: short stacking energy: -35.017
Base-Backbone interact. energy: -0.156
local terms energy: -58.418584
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -11.255
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: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -80.626396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.626396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.626396 (E_RNA)
where:
Base-Base interactions energy: -30.480
where: short stacking energy: -24.966
Base-Backbone interact. energy: -0.491
local terms energy: -49.655630
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: 0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -81.381144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.381144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.381144 (E_RNA)
where:
Base-Base interactions energy: -27.026
where: short stacking energy: -26.866
Base-Backbone interact. energy: -0.351
local terms energy: -54.004168
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -5.252
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: 217
Temperature: 0.900000
Total energy: -207.774858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.774858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.774858 (E_RNA)
where:
Base-Base interactions energy: -140.961
where: short stacking energy: -60.006
Base-Backbone interact. energy: -1.253
local terms energy: -65.561436
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -216.375624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.375624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.375624 (E_RNA)
where:
Base-Base interactions energy: -146.473
where: short stacking energy: -71.390
Base-Backbone interact. energy: -0.237
local terms energy: -69.665750
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -18.433
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: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -189.430222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.430222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.430222 (E_RNA)
where:
Base-Base interactions energy: -120.813
where: short stacking energy: -61.254
Base-Backbone interact. energy: -1.449
local terms energy: -67.168026
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -11.458
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: 217
Temperature: 1.050000
Total energy: -196.349746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.349746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.349746 (E_RNA)
where:
Base-Base interactions energy: -125.902
where: short stacking energy: -63.769
Base-Backbone interact. energy: -0.259
local terms energy: -70.189145
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -10.590
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: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -180.329087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.329087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.329087 (E_RNA)
where:
Base-Base interactions energy: -112.907
where: short stacking energy: -59.146
Base-Backbone interact. energy: -0.371
local terms energy: -67.051386
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -163.790243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.790243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.790243 (E_RNA)
where:
Base-Base interactions energy: -101.287
where: short stacking energy: -37.491
Base-Backbone interact. energy: -1.082
local terms energy: -61.421673
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -96.718231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.718231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.718231 (E_RNA)
where:
Base-Base interactions energy: -46.826
where: short stacking energy: -30.870
Base-Backbone interact. energy: -0.529
local terms energy: -49.363255
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -1.725
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -92.797755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.797755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.797755 (E_RNA)
where:
Base-Base interactions energy: -39.524
where: short stacking energy: -35.015
Base-Backbone interact. energy: 0.526
local terms energy: -53.800003
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -94.975313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.975313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.975313 (E_RNA)
where:
Base-Base interactions energy: -38.930
where: short stacking energy: -32.232
Base-Backbone interact. energy: -0.150
local terms energy: -55.895818
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -3.521
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: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -88.078052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.078052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.078052 (E_RNA)
where:
Base-Base interactions energy: -38.287
where: short stacking energy: -26.094
Base-Backbone interact. energy: -0.073
local terms energy: -49.717895
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -223.364006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.364006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.364006 (E_RNA)
where:
Base-Base interactions energy: -148.016
where: short stacking energy: -74.457
Base-Backbone interact. energy: -0.006
local terms energy: -75.342325
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -208.370002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.370002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.370002 (E_RNA)
where:
Base-Base interactions energy: -137.604
where: short stacking energy: -56.187
Base-Backbone interact. energy: -0.079
local terms energy: -70.687235
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -12.532
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: 3, replica: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -205.444745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.444745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.444745 (E_RNA)
where:
Base-Base interactions energy: -137.373
where: short stacking energy: -66.422
Base-Backbone interact. energy: -0.008
local terms energy: -68.063588
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -10.947
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: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -202.700274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.700274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.700274 (E_RNA)
where:
Base-Base interactions energy: -130.060
where: short stacking energy: -63.812
Base-Backbone interact. energy: -0.343
local terms energy: -72.296777
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -171.609250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.609250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.609250 (E_RNA)
where:
Base-Base interactions energy: -108.773
where: short stacking energy: -50.095
Base-Backbone interact. energy: -1.122
local terms energy: -61.713960
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.116
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: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -170.186246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.186246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.186246 (E_RNA)
where:
Base-Base interactions energy: -97.905
where: short stacking energy: -58.942
Base-Backbone interact. energy: 0.507
local terms energy: -72.788752
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -15.925
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: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -106.525334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.525334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.525334 (E_RNA)
where:
Base-Base interactions energy: -47.643
where: short stacking energy: -47.643
Base-Backbone interact. energy: -0.070
local terms energy: -58.813079
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -86.557422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.557422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.557422 (E_RNA)
where:
Base-Base interactions energy: -35.052
where: short stacking energy: -31.358
Base-Backbone interact. energy: -0.019
local terms energy: -51.486919
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -8.629
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: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -77.358244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.358244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.358244 (E_RNA)
where:
Base-Base interactions energy: -32.948
where: short stacking energy: -18.713
Base-Backbone interact. energy: -0.196
local terms energy: -44.213538
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -7.077
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: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -90.084238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.084238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.084238 (E_RNA)
where:
Base-Base interactions energy: -32.513
where: short stacking energy: -32.513
Base-Backbone interact. energy: -0.102
local terms energy: -57.469372
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -8.149
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: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -222.168790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.168790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.168790 (E_RNA)
where:
Base-Base interactions energy: -142.069
where: short stacking energy: -71.134
Base-Backbone interact. energy: -0.003
local terms energy: -80.096602
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -20.144
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -212.329427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.329427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.329427 (E_RNA)
where:
Base-Base interactions energy: -141.661
where: short stacking energy: -67.875
Base-Backbone interact. energy: -0.139
local terms energy: -70.529519
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -12.956
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: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -203.432455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.432455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.432455 (E_RNA)
where:
Base-Base interactions energy: -134.824
where: short stacking energy: -66.199
Base-Backbone interact. energy: -0.002
local terms energy: -68.606989
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -178.477753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.477753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.477753 (E_RNA)
where:
Base-Base interactions energy: -118.252
where: short stacking energy: -58.281
Base-Backbone interact. energy: -0.145
local terms energy: -60.080590
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -196.187772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.187772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.187772 (E_RNA)
where:
Base-Base interactions energy: -118.298
where: short stacking energy: -63.386
Base-Backbone interact. energy: -1.211
local terms energy: -76.679235
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -12.941
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: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -181.556907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.556907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.556907 (E_RNA)
where:
Base-Base interactions energy: -114.302
where: short stacking energy: -54.415
Base-Backbone interact. energy: -0.176
local terms energy: -67.078979
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -95.167127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.167127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.167127 (E_RNA)
where:
Base-Base interactions energy: -40.259
where: short stacking energy: -37.192
Base-Backbone interact. energy: 0.733
local terms energy: -55.641593
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -101.210458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.210458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.210458 (E_RNA)
where:
Base-Base interactions energy: -43.974
where: short stacking energy: -29.330
Base-Backbone interact. energy: -0.710
local terms energy: -56.526501
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -93.923434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.923434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.923434 (E_RNA)
where:
Base-Base interactions energy: -36.823
where: short stacking energy: -33.518
Base-Backbone interact. energy: -0.159
local terms energy: -56.940961
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -76.719039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.719039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.719039 (E_RNA)
where:
Base-Base interactions energy: -30.266
where: short stacking energy: -29.925
Base-Backbone interact. energy: -0.883
local terms energy: -45.570667
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -222.841335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.841335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.841335 (E_RNA)
where:
Base-Base interactions energy: -150.563
where: short stacking energy: -57.396
Base-Backbone interact. energy: -0.413
local terms energy: -71.865400
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -223.814959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.814959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.814959 (E_RNA)
where:
Base-Base interactions energy: -148.110
where: short stacking energy: -69.161
Base-Backbone interact. energy: -0.075
local terms energy: -75.630101
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -209.810384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.810384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.810384 (E_RNA)
where:
Base-Base interactions energy: -137.551
where: short stacking energy: -72.499
Base-Backbone interact. energy: 0.953
local terms energy: -73.211881
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -16.734
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: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -184.202269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.202269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.202269 (E_RNA)
where:
Base-Base interactions energy: -111.048
where: short stacking energy: -58.310
Base-Backbone interact. energy: -0.179
local terms energy: -72.975559
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -182.868553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.868553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.868553 (E_RNA)
where:
Base-Base interactions energy: -116.038
where: short stacking energy: -58.572
Base-Backbone interact. energy: -0.093
local terms energy: -66.737417
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -190.888077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.888077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.888077 (E_RNA)
where:
Base-Base interactions energy: -109.861
where: short stacking energy: -61.712
Base-Backbone interact. energy: 0.335
local terms energy: -81.362518
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -99.115343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.115343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.115343 (E_RNA)
where:
Base-Base interactions energy: -42.663
where: short stacking energy: -42.663
Base-Backbone interact. energy: -0.005
local terms energy: -56.447449
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -6.566
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: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -97.597537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.597537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.597537 (E_RNA)
where:
Base-Base interactions energy: -38.618
where: short stacking energy: -34.148
Base-Backbone interact. energy: -0.596
local terms energy: -58.383174
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -10.120
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: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -106.916686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.916686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.916686 (E_RNA)
where:
Base-Base interactions energy: -49.010
where: short stacking energy: -47.534
Base-Backbone interact. energy: 0.045
local terms energy: -57.951769
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -93.147027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.147027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.147027 (E_RNA)
where:
Base-Base interactions energy: -37.702
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.198
local terms energy: -55.246634
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -233.623283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.623283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.623283 (E_RNA)
where:
Base-Base interactions energy: -156.259
where: short stacking energy: -68.942
Base-Backbone interact. energy: -0.534
local terms energy: -76.830587
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -15.600
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -220.454812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.454812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.454812 (E_RNA)
where:
Base-Base interactions energy: -138.914
where: short stacking energy: -70.116
Base-Backbone interact. energy: -0.002
local terms energy: -81.538809
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -18.967
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: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -201.880753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.880753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.880753 (E_RNA)
where:
Base-Base interactions energy: -134.364
where: short stacking energy: -68.732
Base-Backbone interact. energy: -0.187
local terms energy: -67.329838
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -14.353
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: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -175.811500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.811500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.811500 (E_RNA)
where:
Base-Base interactions energy: -107.872
where: short stacking energy: -47.820
Base-Backbone interact. energy: -0.172
local terms energy: -67.767865
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -168.575205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.575205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.575205 (E_RNA)
where:
Base-Base interactions energy: -96.946
where: short stacking energy: -57.829
Base-Backbone interact. energy: -0.491
local terms energy: -71.138482
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -12.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -178.776491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.776491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.776491 (E_RNA)
where:
Base-Base interactions energy: -116.571
where: short stacking energy: -55.925
Base-Backbone interact. energy: -0.484
local terms energy: -61.720795
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -98.078001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.078001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.078001 (E_RNA)
where:
Base-Base interactions energy: -44.522
where: short stacking energy: -44.522
Base-Backbone interact. energy: 3.837
local terms energy: -57.392548
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -87.544409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.544409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.544409 (E_RNA)
where:
Base-Base interactions energy: -32.292
where: short stacking energy: -28.915
Base-Backbone interact. energy: -0.204
local terms energy: -55.049116
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -84.389009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.389009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.389009 (E_RNA)
where:
Base-Base interactions energy: -39.608
where: short stacking energy: -34.997
Base-Backbone interact. energy: -0.115
local terms energy: -44.666044
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -6.626
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -79.977050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.977050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.977050 (E_RNA)
where:
Base-Base interactions energy: -33.849
where: short stacking energy: -29.216
Base-Backbone interact. energy: -0.362
local terms energy: -45.765441
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -247.003709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.003709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.003709 (E_RNA)
where:
Base-Base interactions energy: -174.594
where: short stacking energy: -73.399
Base-Backbone interact. energy: -0.664
local terms energy: -71.746096
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -216.794031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.794031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.794031 (E_RNA)
where:
Base-Base interactions energy: -142.068
where: short stacking energy: -73.210
Base-Backbone interact. energy: -0.007
local terms energy: -74.719565
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -10.152
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: 222
Temperature: 1.000000
Total energy: -178.076403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.076403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.076403 (E_RNA)
where:
Base-Base interactions energy: -109.085
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.079
local terms energy: -68.912720
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -203.451798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.451798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.451798 (E_RNA)
where:
Base-Base interactions energy: -132.288
where: short stacking energy: -60.953
Base-Backbone interact. energy: -0.515
local terms energy: -70.648395
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -12.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -191.509052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.509052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.509052 (E_RNA)
where:
Base-Base interactions energy: -123.059
where: short stacking energy: -58.291
Base-Backbone interact. energy: -0.007
local terms energy: -68.443323
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -15.864
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: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -177.838207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.838207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.838207 (E_RNA)
where:
Base-Base interactions energy: -116.305
where: short stacking energy: -58.288
Base-Backbone interact. energy: -0.914
local terms energy: -60.619135
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -11.174
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -15.864
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: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -111.530369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.530369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.530369 (E_RNA)
where:
Base-Base interactions energy: -42.171
where: short stacking energy: -42.171
Base-Backbone interact. energy: -0.001
local terms energy: -69.358409
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -102.603283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.603283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.603283 (E_RNA)
where:
Base-Base interactions energy: -52.669
where: short stacking energy: -51.920
Base-Backbone interact. energy: -0.163
local terms energy: -49.770967
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -8.522
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -10.000
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: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -117.122059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.122059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.122059 (E_RNA)
where:
Base-Base interactions energy: -56.919
where: short stacking energy: -25.565
Base-Backbone interact. energy: -0.259
local terms energy: -59.943372
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -82.010032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.010032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.010032 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -30.640
Base-Backbone interact. energy: -0.324
local terms energy: -51.046190
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -241.858459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.858459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.858459 (E_RNA)
where:
Base-Base interactions energy: -159.497
where: short stacking energy: -66.217
Base-Backbone interact. energy: -0.401
local terms energy: -81.960349
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -197.278665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.278665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.278665 (E_RNA)
where:
Base-Base interactions energy: -131.987
where: short stacking energy: -58.449
Base-Backbone interact. energy: -0.096
local terms energy: -65.196391
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -215.952072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.952072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.952072 (E_RNA)
where:
Base-Base interactions energy: -141.733
where: short stacking energy: -74.214
Base-Backbone interact. energy: -0.994
local terms energy: -73.225146
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -18.210
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: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -199.605441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.605441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.605441 (E_RNA)
where:
Base-Base interactions energy: -130.390
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.315
local terms energy: -68.900106
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -13.626
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: 223
Temperature: 1.100000
Total energy: -191.787013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.787013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.787013 (E_RNA)
where:
Base-Base interactions energy: -118.427
where: short stacking energy: -59.109
Base-Backbone interact. energy: -1.777
local terms energy: -71.582700
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -9.850
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -21.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -160.195209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.195209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.195209 (E_RNA)
where:
Base-Base interactions energy: -106.747
where: short stacking energy: -42.502
Base-Backbone interact. energy: -0.682
local terms energy: -52.766661
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -10.949
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: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -129.488122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.488122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.488122 (E_RNA)
where:
Base-Base interactions energy: -83.976
where: short stacking energy: -38.255
Base-Backbone interact. energy: -1.290
local terms energy: -44.222540
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -5.575
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: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -93.415791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.415791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.415791 (E_RNA)
where:
Base-Base interactions energy: -34.428
where: short stacking energy: -27.660
Base-Backbone interact. energy: -1.659
local terms energy: -57.328524
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -81.976524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.976524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.976524 (E_RNA)
where:
Base-Base interactions energy: -28.522
where: short stacking energy: -28.522
Base-Backbone interact. energy: -0.238
local terms energy: -53.216580
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -84.910307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.910307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.910307 (E_RNA)
where:
Base-Base interactions energy: -32.961
where: short stacking energy: -32.961
Base-Backbone interact. energy: -0.041
local terms energy: -51.908268
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -9.266
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -8.912
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: 224
Temperature: 0.900000
Total energy: -245.031192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.031192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.031192 (E_RNA)
where:
Base-Base interactions energy: -169.361
where: short stacking energy: -68.740
Base-Backbone interact. energy: -0.136
local terms energy: -75.534166
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -15.443
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: 224
Temperature: 0.950000
Total energy: -202.640033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.640033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.640033 (E_RNA)
where:
Base-Base interactions energy: -127.480
where: short stacking energy: -67.514
Base-Backbone interact. energy: -0.216
local terms energy: -74.943561
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -14.010
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: 224
Temperature: 1.000000
Total energy: -215.950187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.950187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.950187 (E_RNA)
where:
Base-Base interactions energy: -136.130
where: short stacking energy: -65.280
Base-Backbone interact. energy: -1.245
local terms energy: -78.575551
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -13.214
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: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -192.692230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.692230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.692230 (E_RNA)
where:
Base-Base interactions energy: -124.687
where: short stacking energy: -57.157
Base-Backbone interact. energy: -0.007
local terms energy: -67.998087
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -8.722
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: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -196.209948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.209948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.209948 (E_RNA)
where:
Base-Base interactions energy: -125.382
where: short stacking energy: -62.427
Base-Backbone interact. energy: -0.074
local terms energy: -70.754368
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -17.465
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: 224
Temperature: 1.150000
Total energy: -153.683528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.683528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.683528 (E_RNA)
where:
Base-Base interactions energy: -102.007
where: short stacking energy: -41.032
Base-Backbone interact. energy: -1.208
local terms energy: -50.469097
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -8.721
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -148.335369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.335369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.335369 (E_RNA)
where:
Base-Base interactions energy: -92.585
where: short stacking energy: -36.754
Base-Backbone interact. energy: -1.026
local terms energy: -54.724906
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -2.326
tors. eta vs tors. theta energy: -5.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -93.203874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.203874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.203874 (E_RNA)
where:
Base-Base interactions energy: -39.578
where: short stacking energy: -39.578
Base-Backbone interact. energy: -0.055
local terms energy: -53.571351
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -84.298548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.298548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.298548 (E_RNA)
where:
Base-Base interactions energy: -32.493
where: short stacking energy: -32.493
Base-Backbone interact. energy: 5.779
local terms energy: -57.585203
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -8.366
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: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -89.091163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.091163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.091163 (E_RNA)
where:
Base-Base interactions energy: -36.643
where: short stacking energy: -36.643
Base-Backbone interact. energy: -0.187
local terms energy: -52.260532
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -8.548
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -242.343419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.343419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.343419 (E_RNA)
where:
Base-Base interactions energy: -162.016
where: short stacking energy: -68.357
Base-Backbone interact. energy: 0.279
local terms energy: -80.606127
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -14.346
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: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -221.419507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.419507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.419507 (E_RNA)
where:
Base-Base interactions energy: -147.911
where: short stacking energy: -79.324
Base-Backbone interact. energy: -1.087
local terms energy: -72.421578
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -20.663
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: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -209.972471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.972471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.972471 (E_RNA)
where:
Base-Base interactions energy: -141.553
where: short stacking energy: -72.618
Base-Backbone interact. energy: -0.115
local terms energy: -68.305122
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -8.676
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: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -190.048498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.048498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.048498 (E_RNA)
where:
Base-Base interactions energy: -122.794
where: short stacking energy: -70.175
Base-Backbone interact. energy: -0.082
local terms energy: -67.172860
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -196.714415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.714415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.714415 (E_RNA)
where:
Base-Base interactions energy: -124.771
where: short stacking energy: -63.149
Base-Backbone interact. energy: -0.069
local terms energy: -71.874198
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -169.462048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.462048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.462048 (E_RNA)
where:
Base-Base interactions energy: -110.109
where: short stacking energy: -46.951
Base-Backbone interact. energy: -0.524
local terms energy: -58.828536
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -14.855
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: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -120.970250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.970250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.970250 (E_RNA)
where:
Base-Base interactions energy: -71.222
where: short stacking energy: -31.652
Base-Backbone interact. energy: -0.672
local terms energy: -49.076138
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -8.824
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -96.259306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.259306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.259306 (E_RNA)
where:
Base-Base interactions energy: -31.904
where: short stacking energy: -29.273
Base-Backbone interact. energy: -2.314
local terms energy: -62.041309
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -8.237
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: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -91.394850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.394850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.394850 (E_RNA)
where:
Base-Base interactions energy: -38.222
where: short stacking energy: -35.700
Base-Backbone interact. energy: -0.127
local terms energy: -53.045908
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -7.301
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -6.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -89.015488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.015488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.015488 (E_RNA)
where:
Base-Base interactions energy: -34.184
where: short stacking energy: -32.379
Base-Backbone interact. energy: -0.483
local terms energy: -54.347895
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -231.539677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.539677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.539677 (E_RNA)
where:
Base-Base interactions energy: -147.266
where: short stacking energy: -77.288
Base-Backbone interact. energy: -0.000
local terms energy: -84.273080
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -240.554951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.554951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.554951 (E_RNA)
where:
Base-Base interactions energy: -159.890
where: short stacking energy: -65.861
Base-Backbone interact. energy: -0.206
local terms energy: -80.459273
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -15.190
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: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -207.057428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.057428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.057428 (E_RNA)
where:
Base-Base interactions energy: -132.226
where: short stacking energy: -60.573
Base-Backbone interact. energy: 0.142
local terms energy: -74.973362
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -203.563150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.563150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.563150 (E_RNA)
where:
Base-Base interactions energy: -133.047
where: short stacking energy: -51.516
Base-Backbone interact. energy: -0.243
local terms energy: -70.273215
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -180.772840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.772840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.772840 (E_RNA)
where:
Base-Base interactions energy: -111.786
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.013
local terms energy: -68.973262
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -192.255173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.255173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.255173 (E_RNA)
where:
Base-Base interactions energy: -130.292
where: short stacking energy: -61.287
Base-Backbone interact. energy: -0.030
local terms energy: -61.933872
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -14.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -100.125733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.125733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.125733 (E_RNA)
where:
Base-Base interactions energy: -39.757
where: short stacking energy: -33.806
Base-Backbone interact. energy: -0.014
local terms energy: -60.354727
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -95.646477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.646477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.646477 (E_RNA)
where:
Base-Base interactions energy: -41.502
where: short stacking energy: -36.388
Base-Backbone interact. energy: -0.174
local terms energy: -53.970401
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -2.637
tors. eta vs tors. theta energy: -9.802
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: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -92.434970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.434970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.434970 (E_RNA)
where:
Base-Base interactions energy: -29.142
where: short stacking energy: -29.142
Base-Backbone interact. energy: -0.101
local terms energy: -63.191685
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -80.681441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.681441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.681441 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -28.109
Base-Backbone interact. energy: -0.060
local terms energy: -48.444039
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -220.917670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.917670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.917670 (E_RNA)
where:
Base-Base interactions energy: -140.369
where: short stacking energy: -73.977
Base-Backbone interact. energy: -0.575
local terms energy: -79.973399
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -229.677771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.677771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.677771 (E_RNA)
where:
Base-Base interactions energy: -153.824
where: short stacking energy: -63.964
Base-Backbone interact. energy: -0.169
local terms energy: -75.685145
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -216.847512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.847512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.847512 (E_RNA)
where:
Base-Base interactions energy: -141.109
where: short stacking energy: -71.212
Base-Backbone interact. energy: 0.857
local terms energy: -76.594814
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -171.296290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.296290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.296290 (E_RNA)
where:
Base-Base interactions energy: -100.038
where: short stacking energy: -54.243
Base-Backbone interact. energy: -2.098
local terms energy: -69.159960
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -194.669522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.669522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.669522 (E_RNA)
where:
Base-Base interactions energy: -125.228
where: short stacking energy: -68.193
Base-Backbone interact. energy: 0.206
local terms energy: -69.647327
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -185.084283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.084283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.084283 (E_RNA)
where:
Base-Base interactions energy: -114.734
where: short stacking energy: -47.262
Base-Backbone interact. energy: -0.494
local terms energy: -69.856478
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -117.233268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.233268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.233268 (E_RNA)
where:
Base-Base interactions energy: -65.678
where: short stacking energy: -43.361
Base-Backbone interact. energy: 0.168
local terms energy: -51.723747
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -97.360562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.360562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.360562 (E_RNA)
where:
Base-Base interactions energy: -40.888
where: short stacking energy: -40.888
Base-Backbone interact. energy: -0.079
local terms energy: -56.392784
where:
bonds (distance) C4'-P energy: -7.213
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -88.130246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.130246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.130246 (E_RNA)
where:
Base-Base interactions energy: -36.536
where: short stacking energy: -28.827
Base-Backbone interact. energy: -0.145
local terms energy: -51.449484
where:
bonds (distance) C4'-P energy: -9.962
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -75.696740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.696740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.696740 (E_RNA)
where:
Base-Base interactions energy: -37.074
where: short stacking energy: -20.632
Base-Backbone interact. energy: -0.166
local terms energy: -38.456916
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -5.243
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: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -240.168186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.168186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.168186 (E_RNA)
where:
Base-Base interactions energy: -165.863
where: short stacking energy: -66.260
Base-Backbone interact. energy: -0.104
local terms energy: -74.200674
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -16.165
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: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -212.420155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.420155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.420155 (E_RNA)
where:
Base-Base interactions energy: -129.898
where: short stacking energy: -66.026
Base-Backbone interact. energy: -0.001
local terms energy: -82.520400
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -12.979
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: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -179.360401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.360401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.360401 (E_RNA)
where:
Base-Base interactions energy: -109.194
where: short stacking energy: -54.381
Base-Backbone interact. energy: -1.460
local terms energy: -68.706250
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.375
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: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -198.441545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.441545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.441545 (E_RNA)
where:
Base-Base interactions energy: -127.437
where: short stacking energy: -54.590
Base-Backbone interact. energy: -0.182
local terms energy: -70.822774
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -195.299896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.299896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.299896 (E_RNA)
where:
Base-Base interactions energy: -120.388
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.429
local terms energy: -74.482509
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -168.066119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.066119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.066119 (E_RNA)
where:
Base-Base interactions energy: -104.281
where: short stacking energy: -52.379
Base-Backbone interact. energy: -0.998
local terms energy: -62.787990
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -3.563
tors. eta vs tors. theta energy: -11.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -102.494599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.494599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.494599 (E_RNA)
where:
Base-Base interactions energy: -45.868
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.112
local terms energy: -56.513776
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -10.895
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: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -92.914354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.914354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.914354 (E_RNA)
where:
Base-Base interactions energy: -51.122
where: short stacking energy: -33.934
Base-Backbone interact. energy: -0.222
local terms energy: -41.570320
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -7.364
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -10.286
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: 228
Temperature: 1.300000
Total energy: -100.211986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.211986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.211986 (E_RNA)
where:
Base-Base interactions energy: -51.574
where: short stacking energy: -44.032
Base-Backbone interact. energy: -0.208
local terms energy: -48.429835
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -78.881652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.881652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.881652 (E_RNA)
where:
Base-Base interactions energy: -29.536
where: short stacking energy: -29.385
Base-Backbone interact. energy: -0.120
local terms energy: -49.225758
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -236.593632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.593632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.593632 (E_RNA)
where:
Base-Base interactions energy: -158.075
where: short stacking energy: -58.466
Base-Backbone interact. energy: -0.206
local terms energy: -78.312770
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -20.183
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: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -217.362423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.362423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.362423 (E_RNA)
where:
Base-Base interactions energy: -138.987
where: short stacking energy: -69.550
Base-Backbone interact. energy: -0.011
local terms energy: -78.364142
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -17.524
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: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -192.135271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.135271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.135271 (E_RNA)
where:
Base-Base interactions energy: -121.222
where: short stacking energy: -66.382
Base-Backbone interact. energy: -1.662
local terms energy: -69.251558
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -211.190226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.190226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.190226 (E_RNA)
where:
Base-Base interactions energy: -134.932
where: short stacking energy: -65.010
Base-Backbone interact. energy: 0.122
local terms energy: -76.379626
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -22.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -189.252333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.252333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.252333 (E_RNA)
where:
Base-Base interactions energy: -119.393
where: short stacking energy: -63.575
Base-Backbone interact. energy: -0.452
local terms energy: -69.407533
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -9.489
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: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -171.014282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.014282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.014282 (E_RNA)
where:
Base-Base interactions energy: -118.994
where: short stacking energy: -54.531
Base-Backbone interact. energy: -0.284
local terms energy: -51.736253
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -1.511
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -101.610759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.610759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.610759 (E_RNA)
where:
Base-Base interactions energy: -44.888
where: short stacking energy: -37.476
Base-Backbone interact. energy: 1.484
local terms energy: -58.207459
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -13.365
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: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -87.936832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.936832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.936832 (E_RNA)
where:
Base-Base interactions energy: -38.699
where: short stacking energy: -38.699
Base-Backbone interact. energy: 3.576
local terms energy: -52.814620
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -88.897651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.897651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.897651 (E_RNA)
where:
Base-Base interactions energy: -42.374
where: short stacking energy: -18.930
Base-Backbone interact. energy: -0.212
local terms energy: -46.311482
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: 2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -74.708949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.708949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.708949 (E_RNA)
where:
Base-Base interactions energy: -30.523
where: short stacking energy: -21.434
Base-Backbone interact. energy: -0.467
local terms energy: -43.718437
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: 3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -217.340041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.340041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.340041 (E_RNA)
where:
Base-Base interactions energy: -138.236
where: short stacking energy: -75.593
Base-Backbone interact. energy: -0.471
local terms energy: -78.633666
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -11.187
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: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -232.048409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.048409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.048409 (E_RNA)
where:
Base-Base interactions energy: -161.022
where: short stacking energy: -67.294
Base-Backbone interact. energy: -0.087
local terms energy: -70.939232
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -9.486
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: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -204.814236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.814236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.814236 (E_RNA)
where:
Base-Base interactions energy: -125.512
where: short stacking energy: -68.468
Base-Backbone interact. energy: -0.126
local terms energy: -79.177144
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -180.310661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.310661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.310661 (E_RNA)
where:
Base-Base interactions energy: -111.147
where: short stacking energy: -54.878
Base-Backbone interact. energy: -1.773
local terms energy: -67.390200
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -13.588
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: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -176.336115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.336115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.336115 (E_RNA)
where:
Base-Base interactions energy: -124.035
where: short stacking energy: -48.272
Base-Backbone interact. energy: -0.147
local terms energy: -52.154099
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -9.183
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -8.512
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: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -161.065871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.065871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.065871 (E_RNA)
where:
Base-Base interactions energy: -102.309
where: short stacking energy: -44.579
Base-Backbone interact. energy: -0.161
local terms energy: -58.595956
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -101.483612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.483612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.483612 (E_RNA)
where:
Base-Base interactions energy: -41.441
where: short stacking energy: -35.160
Base-Backbone interact. energy: 0.046
local terms energy: -60.088588
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -11.479
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: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -84.769611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.769611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.769611 (E_RNA)
where:
Base-Base interactions energy: -38.078
where: short stacking energy: -35.159
Base-Backbone interact. energy: -0.129
local terms energy: -46.563121
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -4.485
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: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -90.206526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.206526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.206526 (E_RNA)
where:
Base-Base interactions energy: -32.281
where: short stacking energy: -32.281
Base-Backbone interact. energy: -0.291
local terms energy: -57.634369
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -87.874068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.874068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.874068 (E_RNA)
where:
Base-Base interactions energy: -30.601
where: short stacking energy: -30.601
Base-Backbone interact. energy: -0.171
local terms energy: -57.102888
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -217.811559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.811559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.811559 (E_RNA)
where:
Base-Base interactions energy: -145.752
where: short stacking energy: -58.731
Base-Backbone interact. energy: -0.585
local terms energy: -71.474081
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -7.867
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: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -223.865500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.865500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.865500 (E_RNA)
where:
Base-Base interactions energy: -153.742
where: short stacking energy: -61.105
Base-Backbone interact. energy: -0.030
local terms energy: -70.093771
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -12.710
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: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -203.544518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.544518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.544518 (E_RNA)
where:
Base-Base interactions energy: -127.610
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.100
local terms energy: -75.833840
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -200.128914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.128914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.128914 (E_RNA)
where:
Base-Base interactions energy: -138.899
where: short stacking energy: -53.060
Base-Backbone interact. energy: -0.533
local terms energy: -60.697141
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -178.197027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.197027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.197027 (E_RNA)
where:
Base-Base interactions energy: -103.389
where: short stacking energy: -53.587
Base-Backbone interact. energy: -1.126
local terms energy: -73.681566
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -188.590303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.590303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.590303 (E_RNA)
where:
Base-Base interactions energy: -121.879
where: short stacking energy: -59.035
Base-Backbone interact. energy: -0.033
local terms energy: -66.677553
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -108.322516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.322516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.322516 (E_RNA)
where:
Base-Base interactions energy: -47.224
where: short stacking energy: -44.987
Base-Backbone interact. energy: -0.232
local terms energy: -60.866494
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -94.831943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.831943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.831943 (E_RNA)
where:
Base-Base interactions energy: -33.232
where: short stacking energy: -33.232
Base-Backbone interact. energy: -0.135
local terms energy: -61.464200
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -89.455508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.455508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.455508 (E_RNA)
where:
Base-Base interactions energy: -33.080
where: short stacking energy: -28.363
Base-Backbone interact. energy: 0.199
local terms energy: -56.574707
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -80.748351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.748351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.748351 (E_RNA)
where:
Base-Base interactions energy: -26.093
where: short stacking energy: -20.529
Base-Backbone interact. energy: -0.177
local terms energy: -54.477942
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -1.140
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: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -235.402433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.402433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.402433 (E_RNA)
where:
Base-Base interactions energy: -162.543
where: short stacking energy: -66.005
Base-Backbone interact. energy: -0.679
local terms energy: -72.179566
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -14.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -211.661716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.661716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.661716 (E_RNA)
where:
Base-Base interactions energy: -131.883
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.368
local terms energy: -79.410024
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -17.409
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: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -201.174437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.174437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.174437 (E_RNA)
where:
Base-Base interactions energy: -138.774
where: short stacking energy: -59.034
Base-Backbone interact. energy: -0.276
local terms energy: -62.124276
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -9.770
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: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -215.467635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.467635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.467635 (E_RNA)
where:
Base-Base interactions energy: -145.986
where: short stacking energy: -72.839
Base-Backbone interact. energy: -0.782
local terms energy: -68.700402
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -175.810794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.810794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.810794 (E_RNA)
where:
Base-Base interactions energy: -121.707
where: short stacking energy: -45.030
Base-Backbone interact. energy: -0.259
local terms energy: -53.844932
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -162.928442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.928442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.928442 (E_RNA)
where:
Base-Base interactions energy: -96.885
where: short stacking energy: -54.128
Base-Backbone interact. energy: -0.013
local terms energy: -66.030596
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -105.717539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.717539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.717539 (E_RNA)
where:
Base-Base interactions energy: -46.709
where: short stacking energy: -39.255
Base-Backbone interact. energy: -0.184
local terms energy: -58.825145
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -99.984484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.984484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.984484 (E_RNA)
where:
Base-Base interactions energy: -45.903
where: short stacking energy: -32.580
Base-Backbone interact. energy: -0.119
local terms energy: -53.962878
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -91.033590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.033590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.033590 (E_RNA)
where:
Base-Base interactions energy: -33.121
where: short stacking energy: -23.980
Base-Backbone interact. energy: -0.652
local terms energy: -57.260517
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -10.480
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: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -82.707479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.707479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.707479 (E_RNA)
where:
Base-Base interactions energy: -28.759
where: short stacking energy: -27.275
Base-Backbone interact. energy: -0.164
local terms energy: -53.784670
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -221.697920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.697920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.697920 (E_RNA)
where:
Base-Base interactions energy: -143.530
where: short stacking energy: -58.604
Base-Backbone interact. energy: -0.598
local terms energy: -77.570041
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -181.047158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.047158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.047158 (E_RNA)
where:
Base-Base interactions energy: -108.141
where: short stacking energy: -49.725
Base-Backbone interact. energy: -0.383
local terms energy: -72.523101
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -13.742
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: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -213.735750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.735750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.735750 (E_RNA)
where:
Base-Base interactions energy: -140.774
where: short stacking energy: -69.101
Base-Backbone interact. energy: -0.619
local terms energy: -72.342539
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -10.225
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: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -179.288760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.288760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.288760 (E_RNA)
where:
Base-Base interactions energy: -116.252
where: short stacking energy: -52.390
Base-Backbone interact. energy: -0.539
local terms energy: -62.497724
where:
bonds (distance) C4'-P energy: -9.062
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -12.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -184.219067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.219067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.219067 (E_RNA)
where:
Base-Base interactions energy: -114.764
where: short stacking energy: -54.616
Base-Backbone interact. energy: -0.008
local terms energy: -69.446695
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -14.494
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: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -118.683907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.683907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.683907 (E_RNA)
where:
Base-Base interactions energy: -50.520
where: short stacking energy: -47.146
Base-Backbone interact. energy: -0.061
local terms energy: -68.102760
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -11.335
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: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -103.265341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.265341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.265341 (E_RNA)
where:
Base-Base interactions energy: -47.719
where: short stacking energy: -36.881
Base-Backbone interact. energy: 0.266
local terms energy: -55.812809
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -8.022
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: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -104.021032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.021032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.021032 (E_RNA)
where:
Base-Base interactions energy: -43.136
where: short stacking energy: -43.136
Base-Backbone interact. energy: -0.066
local terms energy: -60.819669
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -13.639
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: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -94.968288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.968288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.968288 (E_RNA)
where:
Base-Base interactions energy: -32.013
where: short stacking energy: -28.630
Base-Backbone interact. energy: -0.243
local terms energy: -62.711534
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -92.428250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.428250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.428250 (E_RNA)
where:
Base-Base interactions energy: -39.445
where: short stacking energy: -36.627
Base-Backbone interact. energy: -0.125
local terms energy: -52.858352
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -5.417
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: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -229.102411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.102411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.102411 (E_RNA)
where:
Base-Base interactions energy: -154.477
where: short stacking energy: -68.985
Base-Backbone interact. energy: -0.121
local terms energy: -74.504052
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -189.034598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.034598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.034598 (E_RNA)
where:
Base-Base interactions energy: -124.059
where: short stacking energy: -62.614
Base-Backbone interact. energy: -0.432
local terms energy: -64.543163
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -200.372990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.372990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.372990 (E_RNA)
where:
Base-Base interactions energy: -122.218
where: short stacking energy: -60.835
Base-Backbone interact. energy: -1.541
local terms energy: -76.614489
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -164.054534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.054534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.054534 (E_RNA)
where:
Base-Base interactions energy: -102.149
where: short stacking energy: -51.330
Base-Backbone interact. energy: -0.209
local terms energy: -61.695990
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -12.698
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: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -186.044181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.044181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.044181 (E_RNA)
where:
Base-Base interactions energy: -115.195
where: short stacking energy: -60.202
Base-Backbone interact. energy: -0.015
local terms energy: -70.833560
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -96.139984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.139984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.139984 (E_RNA)
where:
Base-Base interactions energy: -44.099
where: short stacking energy: -44.806
Base-Backbone interact. energy: -0.199
local terms energy: -51.842311
where:
bonds (distance) C4'-P energy: -7.532
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -95.241744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.241744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.241744 (E_RNA)
where:
Base-Base interactions energy: -37.771
where: short stacking energy: -37.771
Base-Backbone interact. energy: -0.100
local terms energy: -57.370742
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -8.199
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: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -88.138830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.138830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.138830 (E_RNA)
where:
Base-Base interactions energy: -35.064
where: short stacking energy: -35.064
Base-Backbone interact. energy: -0.470
local terms energy: -52.604726
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -93.838205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.838205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.838205 (E_RNA)
where:
Base-Base interactions energy: -52.899
where: short stacking energy: -28.675
Base-Backbone interact. energy: -0.252
local terms energy: -40.686983
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -3.278
flat angles P-C4'-P energy: -6.668
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: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -82.646823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.646823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.646823 (E_RNA)
where:
Base-Base interactions energy: -28.891
where: short stacking energy: -27.081
Base-Backbone interact. energy: -1.220
local terms energy: -52.536135
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: 0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -236.343856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.343856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.343856 (E_RNA)
where:
Base-Base interactions energy: -166.893
where: short stacking energy: -70.055
Base-Backbone interact. energy: -0.155
local terms energy: -69.295817
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -211.193018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.193018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.193018 (E_RNA)
where:
Base-Base interactions energy: -139.482
where: short stacking energy: -63.354
Base-Backbone interact. energy: -0.231
local terms energy: -71.479927
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -205.340618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.340618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.340618 (E_RNA)
where:
Base-Base interactions energy: -134.515
where: short stacking energy: -59.737
Base-Backbone interact. energy: -0.094
local terms energy: -70.730792
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -14.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -199.513313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.513313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.513313 (E_RNA)
where:
Base-Base interactions energy: -127.191
where: short stacking energy: -70.448
Base-Backbone interact. energy: -0.101
local terms energy: -72.220772
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -190.225856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.225856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.225856 (E_RNA)
where:
Base-Base interactions energy: -121.722
where: short stacking energy: -52.565
Base-Backbone interact. energy: -0.112
local terms energy: -68.392631
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -137.505498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.505498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.505498 (E_RNA)
where:
Base-Base interactions energy: -79.273
where: short stacking energy: -47.815
Base-Backbone interact. energy: -0.723
local terms energy: -57.509677
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -91.636294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.636294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.636294 (E_RNA)
where:
Base-Base interactions energy: -34.753
where: short stacking energy: -31.754
Base-Backbone interact. energy: -0.141
local terms energy: -56.742608
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -8.627
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: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -92.864649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.864649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.864649 (E_RNA)
where:
Base-Base interactions energy: -47.288
where: short stacking energy: -22.564
Base-Backbone interact. energy: -0.235
local terms energy: -45.341462
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: 3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -85.564303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.564303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.564303 (E_RNA)
where:
Base-Base interactions energy: -22.850
where: short stacking energy: -22.753
Base-Backbone interact. energy: -0.327
local terms energy: -62.387508
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -80.821547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.821547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.821547 (E_RNA)
where:
Base-Base interactions energy: -33.011
where: short stacking energy: -33.011
Base-Backbone interact. energy: -0.059
local terms energy: -47.751371
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -237.400719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.400719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.400719 (E_RNA)
where:
Base-Base interactions energy: -157.390
where: short stacking energy: -68.063
Base-Backbone interact. energy: -0.182
local terms energy: -79.828972
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -20.543
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: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -199.008829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.008829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.008829 (E_RNA)
where:
Base-Base interactions energy: -123.098
where: short stacking energy: -70.954
Base-Backbone interact. energy: -0.262
local terms energy: -75.648491
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -203.835923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.835923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.835923 (E_RNA)
where:
Base-Base interactions energy: -136.822
where: short stacking energy: -71.069
Base-Backbone interact. energy: -0.016
local terms energy: -66.998528
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -16.924
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: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -227.364699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.364699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.364699 (E_RNA)
where:
Base-Base interactions energy: -155.766
where: short stacking energy: -63.384
Base-Backbone interact. energy: -1.337
local terms energy: -70.261800
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -13.877
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: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -206.737123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.737123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.737123 (E_RNA)
where:
Base-Base interactions energy: -139.156
where: short stacking energy: -67.716
Base-Backbone interact. energy: -0.009
local terms energy: -67.572387
where:
bonds (distance) C4'-P energy: -8.827
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -118.212688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.212688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.212688 (E_RNA)
where:
Base-Base interactions energy: -71.043
where: short stacking energy: -36.516
Base-Backbone interact. energy: -0.167
local terms energy: -47.002187
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -2.535
tors. eta vs tors. theta energy: -4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -91.373298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.373298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.373298 (E_RNA)
where:
Base-Base interactions energy: -34.388
where: short stacking energy: -32.680
Base-Backbone interact. energy: -0.317
local terms energy: -56.668327
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -6.283
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -96.764469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.764469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.764469 (E_RNA)
where:
Base-Base interactions energy: -37.800
where: short stacking energy: -37.800
Base-Backbone interact. energy: -0.125
local terms energy: -58.839710
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -85.557685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.557685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.557685 (E_RNA)
where:
Base-Base interactions energy: -34.412
where: short stacking energy: -32.928
Base-Backbone interact. energy: -0.097
local terms energy: -51.048685
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -6.745
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -81.461780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.461780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.461780 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -33.344
Base-Backbone interact. energy: 0.100
local terms energy: -45.827388
where:
bonds (distance) C4'-P energy: -8.832
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -242.645396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.645396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.645396 (E_RNA)
where:
Base-Base interactions energy: -164.331
where: short stacking energy: -71.667
Base-Backbone interact. energy: -0.369
local terms energy: -77.946294
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -11.059
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: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -228.982115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.982115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.982115 (E_RNA)
where:
Base-Base interactions energy: -142.310
where: short stacking energy: -73.479
Base-Backbone interact. energy: -0.002
local terms energy: -86.670244
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -208.309516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.309516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.309516 (E_RNA)
where:
Base-Base interactions energy: -141.413
where: short stacking energy: -66.767
Base-Backbone interact. energy: -0.272
local terms energy: -66.624578
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -17.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -190.723835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.723835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.723835 (E_RNA)
where:
Base-Base interactions energy: -128.970
where: short stacking energy: -67.589
Base-Backbone interact. energy: -0.015
local terms energy: -61.739034
where:
bonds (distance) C4'-P energy: -7.841
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -17.506
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: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -218.383197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.383197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.383197 (E_RNA)
where:
Base-Base interactions energy: -142.589
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.304
local terms energy: -75.490773
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -16.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -138.767169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.767169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.767169 (E_RNA)
where:
Base-Base interactions energy: -84.505
where: short stacking energy: -42.254
Base-Backbone interact. energy: -0.136
local terms energy: -54.126415
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -100.486845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.486845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.486845 (E_RNA)
where:
Base-Base interactions energy: -52.863
where: short stacking energy: -44.720
Base-Backbone interact. energy: -1.374
local terms energy: -46.250645
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: -7.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -97.062561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.062561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.062561 (E_RNA)
where:
Base-Base interactions energy: -42.835
where: short stacking energy: -32.968
Base-Backbone interact. energy: 0.754
local terms energy: -54.982343
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -4.063
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -94.287696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.287696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.287696 (E_RNA)
where:
Base-Base interactions energy: -35.785
where: short stacking energy: -35.785
Base-Backbone interact. energy: -0.082
local terms energy: -58.420887
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -91.158174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.158174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.158174 (E_RNA)
where:
Base-Base interactions energy: -40.823
where: short stacking energy: -34.746
Base-Backbone interact. energy: -0.329
local terms energy: -50.006110
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -239.630690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.630690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.630690 (E_RNA)
where:
Base-Base interactions energy: -161.907
where: short stacking energy: -66.282
Base-Backbone interact. energy: -0.105
local terms energy: -77.619514
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -211.368348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.368348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.368348 (E_RNA)
where:
Base-Base interactions energy: -139.026
where: short stacking energy: -71.853
Base-Backbone interact. energy: -0.005
local terms energy: -72.336973
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -207.714478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.714478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.714478 (E_RNA)
where:
Base-Base interactions energy: -135.071
where: short stacking energy: -63.051
Base-Backbone interact. energy: -0.492
local terms energy: -72.151529
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -223.606362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.606362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.606362 (E_RNA)
where:
Base-Base interactions energy: -150.062
where: short stacking energy: -73.105
Base-Backbone interact. energy: -1.116
local terms energy: -72.428452
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -10.127
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -18.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -210.847132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.847132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.847132 (E_RNA)
where:
Base-Base interactions energy: -134.862
where: short stacking energy: -59.421
Base-Backbone interact. energy: -0.101
local terms energy: -75.884891
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -148.102312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.102312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.102312 (E_RNA)
where:
Base-Base interactions energy: -87.269
where: short stacking energy: -44.596
Base-Backbone interact. energy: -0.489
local terms energy: -60.343847
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -115.861535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.861535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.861535 (E_RNA)
where:
Base-Base interactions energy: -61.113
where: short stacking energy: -36.437
Base-Backbone interact. energy: -1.142
local terms energy: -53.606465
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -96.429786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.429786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.429786 (E_RNA)
where:
Base-Base interactions energy: -50.738
where: short stacking energy: -32.802
Base-Backbone interact. energy: -0.126
local terms energy: -45.565971
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -8.914
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -2.286
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: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -80.044712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.044712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.044712 (E_RNA)
where:
Base-Base interactions energy: -44.055
where: short stacking energy: -21.853
Base-Backbone interact. energy: 0.121
local terms energy: -36.110539
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -8.868
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: 5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -78.171243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.171243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.171243 (E_RNA)
where:
Base-Base interactions energy: -26.288
where: short stacking energy: -26.288
Base-Backbone interact. energy: -0.095
local terms energy: -51.787797
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -243.950680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.950680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.950680 (E_RNA)
where:
Base-Base interactions energy: -165.055
where: short stacking energy: -73.660
Base-Backbone interact. energy: -0.175
local terms energy: -78.720968
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -214.817231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.817231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.817231 (E_RNA)
where:
Base-Base interactions energy: -141.025
where: short stacking energy: -71.396
Base-Backbone interact. energy: -0.121
local terms energy: -73.670848
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -211.667290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.667290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.667290 (E_RNA)
where:
Base-Base interactions energy: -137.456
where: short stacking energy: -66.674
Base-Backbone interact. energy: 0.786
local terms energy: -74.996668
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -217.438810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.438810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.438810 (E_RNA)
where:
Base-Base interactions energy: -149.165
where: short stacking energy: -68.203
Base-Backbone interact. energy: -0.186
local terms energy: -68.087847
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -11.631
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: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -212.867747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.867747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.867747 (E_RNA)
where:
Base-Base interactions energy: -152.292
where: short stacking energy: -63.421
Base-Backbone interact. energy: -0.110
local terms energy: -60.466338
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -14.384
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: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -157.420597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.420597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.420597 (E_RNA)
where:
Base-Base interactions energy: -97.900
where: short stacking energy: -53.620
Base-Backbone interact. energy: -0.473
local terms energy: -59.047290
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -108.353587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.353587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.353587 (E_RNA)
where:
Base-Base interactions energy: -56.725
where: short stacking energy: -42.018
Base-Backbone interact. energy: -0.228
local terms energy: -51.401113
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -106.263835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.263835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.263835 (E_RNA)
where:
Base-Base interactions energy: -48.654
where: short stacking energy: -36.653
Base-Backbone interact. energy: -0.168
local terms energy: -57.441243
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -9.871
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: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -83.964294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.964294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.964294 (E_RNA)
where:
Base-Base interactions energy: -32.351
where: short stacking energy: -25.605
Base-Backbone interact. energy: -0.123
local terms energy: -51.490258
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -89.401946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.401946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.401946 (E_RNA)
where:
Base-Base interactions energy: -48.140
where: short stacking energy: -38.249
Base-Backbone interact. energy: 2.304
local terms energy: -43.565585
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -4.259
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -231.374983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.374983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.374983 (E_RNA)
where:
Base-Base interactions energy: -150.801
where: short stacking energy: -74.429
Base-Backbone interact. energy: -0.239
local terms energy: -80.334822
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -241.770622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.770622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.770622 (E_RNA)
where:
Base-Base interactions energy: -165.729
where: short stacking energy: -71.837
Base-Backbone interact. energy: -0.160
local terms energy: -75.882000
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -215.890061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.890061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.890061 (E_RNA)
where:
Base-Base interactions energy: -138.460
where: short stacking energy: -68.364
Base-Backbone interact. energy: -0.447
local terms energy: -76.983216
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -12.204
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: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -184.748437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.748437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.748437 (E_RNA)
where:
Base-Base interactions energy: -118.087
where: short stacking energy: -61.773
Base-Backbone interact. energy: -1.759
local terms energy: -64.902545
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -8.308
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -173.294097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.294097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.294097 (E_RNA)
where:
Base-Base interactions energy: -112.089
where: short stacking energy: -45.330
Base-Backbone interact. energy: 0.088
local terms energy: -61.292841
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -9.588
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: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -211.183888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.183888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.183888 (E_RNA)
where:
Base-Base interactions energy: -154.340
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.141
local terms energy: -56.703393
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -11.374
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: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -113.846398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.846398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.846398 (E_RNA)
where:
Base-Base interactions energy: -54.701
where: short stacking energy: -54.701
Base-Backbone interact. energy: -0.017
local terms energy: -59.128683
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -100.955670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.955670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.955670 (E_RNA)
where:
Base-Base interactions energy: -52.149
where: short stacking energy: -24.097
Base-Backbone interact. energy: 0.192
local terms energy: -48.998839
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -8.113
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: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -87.205818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.205818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.205818 (E_RNA)
where:
Base-Base interactions energy: -39.329
where: short stacking energy: -31.625
Base-Backbone interact. energy: 0.642
local terms energy: -48.519087
where:
bonds (distance) C4'-P energy: -9.021
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -5.693
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: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -71.719739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.719739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.719739 (E_RNA)
where:
Base-Base interactions energy: -22.747
where: short stacking energy: -22.545
Base-Backbone interact. energy: -0.263
local terms energy: -48.709189
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: 1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -217.431819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.431819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.431819 (E_RNA)
where:
Base-Base interactions energy: -143.936
where: short stacking energy: -71.187
Base-Backbone interact. energy: -0.102
local terms energy: -73.392938
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -5.724
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: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -222.231283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.231283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.231283 (E_RNA)
where:
Base-Base interactions energy: -144.851
where: short stacking energy: -76.667
Base-Backbone interact. energy: -2.344
local terms energy: -75.036803
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -11.422
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: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -237.550128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.550128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.550128 (E_RNA)
where:
Base-Base interactions energy: -157.927
where: short stacking energy: -67.947
Base-Backbone interact. energy: -1.053
local terms energy: -78.570027
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -12.119
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: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -208.771904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.771904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.771904 (E_RNA)
where:
Base-Base interactions energy: -144.058
where: short stacking energy: -67.594
Base-Backbone interact. energy: -0.173
local terms energy: -64.541325
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -11.019
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: 5, replica: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -170.253428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.253428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.253428 (E_RNA)
where:
Base-Base interactions energy: -99.494
where: short stacking energy: -37.835
Base-Backbone interact. energy: -0.213
local terms energy: -70.546205
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -9.862
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: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -199.060700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.060700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.060700 (E_RNA)
where:
Base-Base interactions energy: -120.174
where: short stacking energy: -54.198
Base-Backbone interact. energy: -1.740
local terms energy: -77.146562
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -101.320779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.320779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.320779 (E_RNA)
where:
Base-Base interactions energy: -38.746
where: short stacking energy: -38.746
Base-Backbone interact. energy: -0.119
local terms energy: -62.456211
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -96.305457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.305457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.305457 (E_RNA)
where:
Base-Base interactions energy: -45.074
where: short stacking energy: -22.245
Base-Backbone interact. energy: -0.353
local terms energy: -50.878529
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: 0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -88.753310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.753310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.753310 (E_RNA)
where:
Base-Base interactions energy: -38.623
where: short stacking energy: -34.904
Base-Backbone interact. energy: -0.066
local terms energy: -50.064191
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -98.320509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.320509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.320509 (E_RNA)
where:
Base-Base interactions energy: -53.917
where: short stacking energy: -30.888
Base-Backbone interact. energy: -1.141
local terms energy: -43.262811
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -5.121
flat angles P-C4'-P energy: -6.400
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: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -231.702910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.702910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.702910 (E_RNA)
where:
Base-Base interactions energy: -158.758
where: short stacking energy: -76.659
Base-Backbone interact. energy: 0.009
local terms energy: -72.953996
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -20.082
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: 242
Temperature: 0.950000
Total energy: -229.081057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.081057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.081057 (E_RNA)
where:
Base-Base interactions energy: -149.952
where: short stacking energy: -80.647
Base-Backbone interact. energy: -0.626
local terms energy: -78.503346
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -22.378
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: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -215.475204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.475204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.475204 (E_RNA)
where:
Base-Base interactions energy: -146.061
where: short stacking energy: -67.134
Base-Backbone interact. energy: -0.487
local terms energy: -68.926469
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -207.224657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.224657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.224657 (E_RNA)
where:
Base-Base interactions energy: -136.309
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.205
local terms energy: -70.711021
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -16.303
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: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -192.557527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.557527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.557527 (E_RNA)
where:
Base-Base interactions energy: -120.638
where: short stacking energy: -71.772
Base-Backbone interact. energy: -1.949
local terms energy: -69.971386
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -181.164258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.164258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.164258 (E_RNA)
where:
Base-Base interactions energy: -126.942
where: short stacking energy: -48.482
Base-Backbone interact. energy: -2.362
local terms energy: -51.860303
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -3.454
tors. eta vs tors. theta energy: -8.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -130.317082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.317082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.317082 (E_RNA)
where:
Base-Base interactions energy: -67.286
where: short stacking energy: -27.941
Base-Backbone interact. energy: -0.550
local terms energy: -62.480882
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -8.336
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: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -91.227047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.227047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.227047 (E_RNA)
where:
Base-Base interactions energy: -34.491
where: short stacking energy: -34.491
Base-Backbone interact. energy: -0.072
local terms energy: -56.664614
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -92.673627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.673627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.673627 (E_RNA)
where:
Base-Base interactions energy: -37.958
where: short stacking energy: -37.958
Base-Backbone interact. energy: -0.264
local terms energy: -54.451038
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -80.526027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.526027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.526027 (E_RNA)
where:
Base-Base interactions energy: -34.225
where: short stacking energy: -28.225
Base-Backbone interact. energy: -0.014
local terms energy: -46.286897
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -7.708
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: 1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -238.979560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.979560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.979560 (E_RNA)
where:
Base-Base interactions energy: -163.683
where: short stacking energy: -80.854
Base-Backbone interact. energy: -0.393
local terms energy: -74.902718
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -17.142
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: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -211.276958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.276958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.276958 (E_RNA)
where:
Base-Base interactions energy: -144.058
where: short stacking energy: -62.605
Base-Backbone interact. energy: -0.718
local terms energy: -66.501420
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -13.483
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: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -210.757172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.757172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.757172 (E_RNA)
where:
Base-Base interactions energy: -137.895
where: short stacking energy: -66.999
Base-Backbone interact. energy: -0.132
local terms energy: -72.730268
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -207.430535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.430535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.430535 (E_RNA)
where:
Base-Base interactions energy: -133.222
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.323
local terms energy: -73.885566
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -19.297
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: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -207.726740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.726740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.726740 (E_RNA)
where:
Base-Base interactions energy: -133.993
where: short stacking energy: -64.077
Base-Backbone interact. energy: -0.019
local terms energy: -73.714489
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -174.216855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.216855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.216855 (E_RNA)
where:
Base-Base interactions energy: -110.143
where: short stacking energy: -43.583
Base-Backbone interact. energy: -1.267
local terms energy: -62.807060
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -106.040405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.040405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.040405 (E_RNA)
where:
Base-Base interactions energy: -47.816
where: short stacking energy: -44.132
Base-Backbone interact. energy: -0.002
local terms energy: -58.222037
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -6.265
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -79.995520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.995520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.995520 (E_RNA)
where:
Base-Base interactions energy: -24.832
where: short stacking energy: -19.752
Base-Backbone interact. energy: -0.305
local terms energy: -54.859051
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -86.291265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.291265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.291265 (E_RNA)
where:
Base-Base interactions energy: -37.059
where: short stacking energy: -32.400
Base-Backbone interact. energy: -0.153
local terms energy: -49.078958
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -83.965492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.965492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.965492 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -24.119
Base-Backbone interact. energy: 0.614
local terms energy: -44.539925
where:
bonds (distance) C4'-P energy: -7.359
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -234.683917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.683917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.683917 (E_RNA)
where:
Base-Base interactions energy: -161.993
where: short stacking energy: -78.482
Base-Backbone interact. energy: 0.012
local terms energy: -72.702732
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -8.954
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: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -210.551876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.551876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.551876 (E_RNA)
where:
Base-Base interactions energy: -147.449
where: short stacking energy: -56.543
Base-Backbone interact. energy: 1.693
local terms energy: -64.795391
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -11.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -226.796538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.796538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.796538 (E_RNA)
where:
Base-Base interactions energy: -150.381
where: short stacking energy: -62.304
Base-Backbone interact. energy: -0.188
local terms energy: -76.228134
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -191.391382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.391382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.391382 (E_RNA)
where:
Base-Base interactions energy: -125.261
where: short stacking energy: -58.864
Base-Backbone interact. energy: -0.117
local terms energy: -66.013634
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -15.904
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: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -200.611144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.611144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.611144 (E_RNA)
where:
Base-Base interactions energy: -129.085
where: short stacking energy: -51.694
Base-Backbone interact. energy: -0.052
local terms energy: -71.474053
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -9.427
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: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -171.269742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.269742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.269742 (E_RNA)
where:
Base-Base interactions energy: -102.935
where: short stacking energy: -45.411
Base-Backbone interact. energy: -1.647
local terms energy: -66.687770
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -11.519
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: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -102.680018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.680018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.680018 (E_RNA)
where:
Base-Base interactions energy: -43.344
where: short stacking energy: -43.344
Base-Backbone interact. energy: 0.410
local terms energy: -59.745477
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -5.760
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: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -94.762122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.762122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.762122 (E_RNA)
where:
Base-Base interactions energy: -39.267
where: short stacking energy: -32.265
Base-Backbone interact. energy: -0.182
local terms energy: -55.313213
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -96.285202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.285202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.285202 (E_RNA)
where:
Base-Base interactions energy: -39.688
where: short stacking energy: -36.190
Base-Backbone interact. energy: -0.205
local terms energy: -56.392424
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -2.055
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -83.643512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.643512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.643512 (E_RNA)
where:
Base-Base interactions energy: -26.630
where: short stacking energy: -23.312
Base-Backbone interact. energy: 0.008
local terms energy: -57.020826
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -11.045
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: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -228.133955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.133955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.133955 (E_RNA)
where:
Base-Base interactions energy: -147.210
where: short stacking energy: -78.049
Base-Backbone interact. energy: -0.004
local terms energy: -80.920567
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -21.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -242.752383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.752383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.752383 (E_RNA)
where:
Base-Base interactions energy: -168.949
where: short stacking energy: -76.644
Base-Backbone interact. energy: -0.053
local terms energy: -73.750042
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -236.365583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.365583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.365583 (E_RNA)
where:
Base-Base interactions energy: -157.959
where: short stacking energy: -66.874
Base-Backbone interact. energy: -0.504
local terms energy: -77.903213
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -198.180272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.180272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.180272 (E_RNA)
where:
Base-Base interactions energy: -126.257
where: short stacking energy: -45.835
Base-Backbone interact. energy: -0.200
local terms energy: -71.723210
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -186.476845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.476845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.476845 (E_RNA)
where:
Base-Base interactions energy: -116.628
where: short stacking energy: -61.413
Base-Backbone interact. energy: -0.008
local terms energy: -69.840878
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -163.583241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.583241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.583241 (E_RNA)
where:
Base-Base interactions energy: -95.600
where: short stacking energy: -44.535
Base-Backbone interact. energy: -1.189
local terms energy: -66.794106
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -99.064967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.064967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.064967 (E_RNA)
where:
Base-Base interactions energy: -36.005
where: short stacking energy: -36.005
Base-Backbone interact. energy: -0.177
local terms energy: -62.883050
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -102.699922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.699922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.699922 (E_RNA)
where:
Base-Base interactions energy: -64.272
where: short stacking energy: -35.696
Base-Backbone interact. energy: 0.577
local terms energy: -39.005298
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -9.050
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -91.708420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.708420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.708420 (E_RNA)
where:
Base-Base interactions energy: -33.827
where: short stacking energy: -33.827
Base-Backbone interact. energy: -0.003
local terms energy: -57.877645
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -91.123758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.123758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.123758 (E_RNA)
where:
Base-Base interactions energy: -50.877
where: short stacking energy: -20.787
Base-Backbone interact. energy: -0.765
local terms energy: -39.481145
where:
bonds (distance) C4'-P energy: -8.138
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -9.040
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -240.190360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.190360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.190360 (E_RNA)
where:
Base-Base interactions energy: -164.871
where: short stacking energy: -70.842
Base-Backbone interact. energy: -1.405
local terms energy: -73.914758
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -10.402
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: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -227.805550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.805550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.805550 (E_RNA)
where:
Base-Base interactions energy: -144.923
where: short stacking energy: -77.690
Base-Backbone interact. energy: -0.002
local terms energy: -82.880867
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -213.329759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.329759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.329759 (E_RNA)
where:
Base-Base interactions energy: -138.418
where: short stacking energy: -59.250
Base-Backbone interact. energy: -0.995
local terms energy: -73.916677
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -10.334
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: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -221.691507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.691507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.691507 (E_RNA)
where:
Base-Base interactions energy: -148.803
where: short stacking energy: -57.799
Base-Backbone interact. energy: -0.093
local terms energy: -72.796299
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -14.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -170.359235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.359235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.359235 (E_RNA)
where:
Base-Base interactions energy: -100.726
where: short stacking energy: -59.702
Base-Backbone interact. energy: 1.832
local terms energy: -71.464955
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -11.886
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: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -176.729850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.729850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.729850 (E_RNA)
where:
Base-Base interactions energy: -109.607
where: short stacking energy: -62.049
Base-Backbone interact. energy: -0.253
local terms energy: -66.869825
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -12.692
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: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -95.990816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.990816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.990816 (E_RNA)
where:
Base-Base interactions energy: -49.592
where: short stacking energy: -22.887
Base-Backbone interact. energy: -0.056
local terms energy: -46.342528
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -8.302
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -1.828
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: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -96.252442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.252442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.252442 (E_RNA)
where:
Base-Base interactions energy: -41.847
where: short stacking energy: -41.286
Base-Backbone interact. energy: -0.079
local terms energy: -54.326233
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -91.074497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.074497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.074497 (E_RNA)
where:
Base-Base interactions energy: -43.277
where: short stacking energy: -42.301
Base-Backbone interact. energy: -0.267
local terms energy: -47.530406
where:
bonds (distance) C4'-P energy: -8.424
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -6.076
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: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -83.542972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.542972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.542972 (E_RNA)
where:
Base-Base interactions energy: -46.032
where: short stacking energy: -22.925
Base-Backbone interact. energy: -0.892
local terms energy: -36.618179
where:
bonds (distance) C4'-P energy: -7.874
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -1.615
tors. eta vs tors. theta energy: 3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -249.933899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.933899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.933899 (E_RNA)
where:
Base-Base interactions energy: -168.180
where: short stacking energy: -69.886
Base-Backbone interact. energy: -1.011
local terms energy: -80.742327
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -229.727898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.727898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.727898 (E_RNA)
where:
Base-Base interactions energy: -151.600
where: short stacking energy: -76.418
Base-Backbone interact. energy: -0.006
local terms energy: -78.121537
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -204.046177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.046177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.046177 (E_RNA)
where:
Base-Base interactions energy: -138.317
where: short stacking energy: -61.490
Base-Backbone interact. energy: -1.760
local terms energy: -63.969289
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -207.166088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.166088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.166088 (E_RNA)
where:
Base-Base interactions energy: -138.771
where: short stacking energy: -59.233
Base-Backbone interact. energy: -0.641
local terms energy: -67.753576
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -12.515
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: 247
Temperature: 1.100000
Total energy: -166.184823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.184823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.184823 (E_RNA)
where:
Base-Base interactions energy: -107.857
where: short stacking energy: -53.279
Base-Backbone interact. energy: -0.110
local terms energy: -58.218151
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -9.146
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -164.153058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.153058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.153058 (E_RNA)
where:
Base-Base interactions energy: -97.061
where: short stacking energy: -53.517
Base-Backbone interact. energy: -0.429
local terms energy: -66.663467
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -8.852
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: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -94.447411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.447411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.447411 (E_RNA)
where:
Base-Base interactions energy: -40.420
where: short stacking energy: -40.420
Base-Backbone interact. energy: 0.119
local terms energy: -54.146033
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -90.438294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.438294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.438294 (E_RNA)
where:
Base-Base interactions energy: -39.424
where: short stacking energy: -21.974
Base-Backbone interact. energy: 0.386
local terms energy: -51.400105
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -1.696
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: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -100.557652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.557652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.557652 (E_RNA)
where:
Base-Base interactions energy: -50.914
where: short stacking energy: -21.838
Base-Backbone interact. energy: -0.753
local terms energy: -48.890611
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -80.472258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.472258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.472258 (E_RNA)
where:
Base-Base interactions energy: -32.848
where: short stacking energy: -21.460
Base-Backbone interact. energy: 0.760
local terms energy: -48.384260
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -4.382
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -242.486402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.486402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.486402 (E_RNA)
where:
Base-Base interactions energy: -165.961
where: short stacking energy: -66.554
Base-Backbone interact. energy: -0.145
local terms energy: -76.379691
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -222.155251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.155251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.155251 (E_RNA)
where:
Base-Base interactions energy: -143.811
where: short stacking energy: -79.158
Base-Backbone interact. energy: -0.015
local terms energy: -78.329256
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -206.108579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.108579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.108579 (E_RNA)
where:
Base-Base interactions energy: -137.388
where: short stacking energy: -62.993
Base-Backbone interact. energy: -0.109
local terms energy: -68.611401
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -191.504681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.504681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.504681 (E_RNA)
where:
Base-Base interactions energy: -123.274
where: short stacking energy: -61.195
Base-Backbone interact. energy: -1.818
local terms energy: -66.412424
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -169.305571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.305571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.305571 (E_RNA)
where:
Base-Base interactions energy: -99.726
where: short stacking energy: -61.743
Base-Backbone interact. energy: -0.246
local terms energy: -69.333486
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -160.460564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.460564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.460564 (E_RNA)
where:
Base-Base interactions energy: -97.940
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.075
local terms energy: -62.445768
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -103.463300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.463300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.463300 (E_RNA)
where:
Base-Base interactions energy: -44.829
where: short stacking energy: -45.576
Base-Backbone interact. energy: -0.121
local terms energy: -58.513196
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -8.155
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -94.882060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.882060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.882060 (E_RNA)
where:
Base-Base interactions energy: -32.540
where: short stacking energy: -31.378
Base-Backbone interact. energy: -0.068
local terms energy: -62.274370
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -9.007
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: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -86.687435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.687435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.687435 (E_RNA)
where:
Base-Base interactions energy: -32.016
where: short stacking energy: -32.016
Base-Backbone interact. energy: -0.015
local terms energy: -54.655803
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -9.228
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: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -95.706806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.706806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.706806 (E_RNA)
where:
Base-Base interactions energy: -44.211
where: short stacking energy: -44.211
Base-Backbone interact. energy: -0.084
local terms energy: -51.411043
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -254.040856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.040856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.040856 (E_RNA)
where:
Base-Base interactions energy: -170.250
where: short stacking energy: -73.529
Base-Backbone interact. energy: -0.423
local terms energy: -83.367946
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -12.491
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: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -211.486520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.486520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.486520 (E_RNA)
where:
Base-Base interactions energy: -137.420
where: short stacking energy: -58.659
Base-Backbone interact. energy: 0.332
local terms energy: -74.398848
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -201.001657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.001657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.001657 (E_RNA)
where:
Base-Base interactions energy: -131.227
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.417
local terms energy: -69.357943
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -176.512173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.512173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.512173 (E_RNA)
where:
Base-Base interactions energy: -104.558
where: short stacking energy: -49.035
Base-Backbone interact. energy: -0.614
local terms energy: -71.340030
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -191.228231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.228231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.228231 (E_RNA)
where:
Base-Base interactions energy: -116.370
where: short stacking energy: -50.894
Base-Backbone interact. energy: -0.453
local terms energy: -74.404660
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -180.306914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.306914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.306914 (E_RNA)
where:
Base-Base interactions energy: -111.770
where: short stacking energy: -55.255
Base-Backbone interact. energy: -1.235
local terms energy: -67.301401
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -8.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -89.773715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.773715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.773715 (E_RNA)
where:
Base-Base interactions energy: -39.499
where: short stacking energy: -38.278
Base-Backbone interact. energy: -1.055
local terms energy: -49.219472
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -93.190569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.190569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.190569 (E_RNA)
where:
Base-Base interactions energy: -39.163
where: short stacking energy: -39.163
Base-Backbone interact. energy: -0.266
local terms energy: -53.761361
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -96.315439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.315439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.315439 (E_RNA)
where:
Base-Base interactions energy: -44.606
where: short stacking energy: -25.840
Base-Backbone interact. energy: -0.124
local terms energy: -51.585628
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: 2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -91.622275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.622275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.622275 (E_RNA)
where:
Base-Base interactions energy: -30.976
where: short stacking energy: -24.495
Base-Backbone interact. energy: -0.255
local terms energy: -60.391228
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -3.361
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: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -243.221744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.221744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.221744 (E_RNA)
where:
Base-Base interactions energy: -162.722
where: short stacking energy: -71.528
Base-Backbone interact. energy: -0.109
local terms energy: -80.390962
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -11.087
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: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -209.219280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.219280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.219280 (E_RNA)
where:
Base-Base interactions energy: -137.159
where: short stacking energy: -56.091
Base-Backbone interact. energy: -0.288
local terms energy: -71.772276
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -205.129993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.129993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.129993 (E_RNA)
where:
Base-Base interactions energy: -132.410
where: short stacking energy: -55.733
Base-Backbone interact. energy: -0.192
local terms energy: -72.528252
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -8.899
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: 4, replica: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -205.771024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.771024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.771024 (E_RNA)
where:
Base-Base interactions energy: -129.915
where: short stacking energy: -64.586
Base-Backbone interact. energy: -0.081
local terms energy: -75.774395
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -198.574682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.574682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.574682 (E_RNA)
where:
Base-Base interactions energy: -126.704
where: short stacking energy: -58.498
Base-Backbone interact. energy: -0.352
local terms energy: -71.517866
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -172.003334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.003334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.003334 (E_RNA)
where:
Base-Base interactions energy: -103.754
where: short stacking energy: -50.032
Base-Backbone interact. energy: -0.799
local terms energy: -67.450322
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -88.125195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.125195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.125195 (E_RNA)
where:
Base-Base interactions energy: -39.063
where: short stacking energy: -24.601
Base-Backbone interact. energy: -1.265
local terms energy: -47.798002
where:
bonds (distance) C4'-P energy: -8.498
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -88.010654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.010654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.010654 (E_RNA)
where:
Base-Base interactions energy: -39.397
where: short stacking energy: -31.593
Base-Backbone interact. energy: -0.556
local terms energy: -48.057811
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -94.449413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.449413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.449413 (E_RNA)
where:
Base-Base interactions energy: -36.435
where: short stacking energy: -32.430
Base-Backbone interact. energy: -0.343
local terms energy: -57.670793
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -2.661
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: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -87.653590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.653590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.653590 (E_RNA)
where:
Base-Base interactions energy: -32.704
where: short stacking energy: -26.871
Base-Backbone interact. energy: 0.473
local terms energy: -55.423152
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -247.188005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.188005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.188005 (E_RNA)
where:
Base-Base interactions energy: -172.182
where: short stacking energy: -71.396
Base-Backbone interact. energy: -0.181
local terms energy: -74.825018
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -20.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -215.403736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.403736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.403736 (E_RNA)
where:
Base-Base interactions energy: -139.843
where: short stacking energy: -69.861
Base-Backbone interact. energy: 0.415
local terms energy: -75.974848
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -206.649111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.649111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.649111 (E_RNA)
where:
Base-Base interactions energy: -131.417
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.402
local terms energy: -74.830567
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -15.488
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: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -207.493452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.493452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.493452 (E_RNA)
where:
Base-Base interactions energy: -133.341
where: short stacking energy: -58.412
Base-Backbone interact. energy: -1.208
local terms energy: -72.944399
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -213.131118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.131118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.131118 (E_RNA)
where:
Base-Base interactions energy: -138.607
where: short stacking energy: -62.564
Base-Backbone interact. energy: -0.174
local terms energy: -74.350408
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -16.455
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: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -180.234793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.234793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.234793 (E_RNA)
where:
Base-Base interactions energy: -114.314
where: short stacking energy: -63.618
Base-Backbone interact. energy: 1.292
local terms energy: -67.212481
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -14.394
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: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -101.566847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.566847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.566847 (E_RNA)
where:
Base-Base interactions energy: -51.891
where: short stacking energy: -24.980
Base-Backbone interact. energy: -0.451
local terms energy: -49.225008
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: 0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -101.169987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.169987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.169987 (E_RNA)
where:
Base-Base interactions energy: -49.120
where: short stacking energy: -38.746
Base-Backbone interact. energy: -0.147
local terms energy: -51.903173
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -97.470815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.470815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.470815 (E_RNA)
where:
Base-Base interactions energy: -50.691
where: short stacking energy: -27.874
Base-Backbone interact. energy: -0.973
local terms energy: -45.807433
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: 0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -80.784747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.784747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.784747 (E_RNA)
where:
Base-Base interactions energy: -32.895
where: short stacking energy: -32.895
Base-Backbone interact. energy: -0.070
local terms energy: -47.819198
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -247.560772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.560772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.560772 (E_RNA)
where:
Base-Base interactions energy: -168.127
where: short stacking energy: -72.207
Base-Backbone interact. energy: -1.292
local terms energy: -78.141993
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -216.572947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.572947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.572947 (E_RNA)
where:
Base-Base interactions energy: -140.851
where: short stacking energy: -76.162
Base-Backbone interact. energy: 0.120
local terms energy: -75.841641
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -19.642
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: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -219.008164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.008164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.008164 (E_RNA)
where:
Base-Base interactions energy: -142.406
where: short stacking energy: -67.532
Base-Backbone interact. energy: -0.092
local terms energy: -76.510455
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -11.280
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: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -195.215557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.215557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.215557 (E_RNA)
where:
Base-Base interactions energy: -126.927
where: short stacking energy: -45.661
Base-Backbone interact. energy: -1.190
local terms energy: -67.098160
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -8.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -206.398958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.398958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.398958 (E_RNA)
where:
Base-Base interactions energy: -131.158
where: short stacking energy: -60.100
Base-Backbone interact. energy: -0.002
local terms energy: -75.239352
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -185.558052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.558052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.558052 (E_RNA)
where:
Base-Base interactions energy: -122.632
where: short stacking energy: -57.979
Base-Backbone interact. energy: -0.520
local terms energy: -62.406491
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -15.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -134.648641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.648641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.648641 (E_RNA)
where:
Base-Base interactions energy: -82.475
where: short stacking energy: -37.424
Base-Backbone interact. energy: -0.312
local terms energy: -51.860728
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -8.087
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: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -99.559917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.559917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.559917 (E_RNA)
where:
Base-Base interactions energy: -45.229
where: short stacking energy: -42.675
Base-Backbone interact. energy: -0.521
local terms energy: -53.810204
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -77.789824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.789824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.789824 (E_RNA)
where:
Base-Base interactions energy: -35.894
where: short stacking energy: -31.405
Base-Backbone interact. energy: 1.305
local terms energy: -43.201263
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -90.805883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.805883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.805883 (E_RNA)
where:
Base-Base interactions energy: -33.334
where: short stacking energy: -28.024
Base-Backbone interact. energy: -0.050
local terms energy: -57.422036
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -247.910209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.910209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.910209 (E_RNA)
where:
Base-Base interactions energy: -160.476
where: short stacking energy: -71.149
Base-Backbone interact. energy: -0.748
local terms energy: -86.686932
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -218.771231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.771231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.771231 (E_RNA)
where:
Base-Base interactions energy: -147.513
where: short stacking energy: -78.015
Base-Backbone interact. energy: -0.226
local terms energy: -71.032288
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -228.470036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.470036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.470036 (E_RNA)
where:
Base-Base interactions energy: -150.915
where: short stacking energy: -81.326
Base-Backbone interact. energy: -0.002
local terms energy: -77.552403
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -21.730
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: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -211.058362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.058362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.058362 (E_RNA)
where:
Base-Base interactions energy: -135.062
where: short stacking energy: -71.592
Base-Backbone interact. energy: -0.346
local terms energy: -75.650166
where:
bonds (distance) C4'-P energy: -7.375
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -10.882
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: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -198.788906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.788906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.788906 (E_RNA)
where:
Base-Base interactions energy: -128.518
where: short stacking energy: -58.890
Base-Backbone interact. energy: -0.236
local terms energy: -70.034747
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -192.072989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.072989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.072989 (E_RNA)
where:
Base-Base interactions energy: -131.610
where: short stacking energy: -62.545
Base-Backbone interact. energy: -0.401
local terms energy: -60.061641
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -105.198133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.198133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.198133 (E_RNA)
where:
Base-Base interactions energy: -59.844
where: short stacking energy: -36.532
Base-Backbone interact. energy: 0.054
local terms energy: -45.407568
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -2.537
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -98.229679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.229679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.229679 (E_RNA)
where:
Base-Base interactions energy: -47.908
where: short stacking energy: -26.034
Base-Backbone interact. energy: -0.621
local terms energy: -49.700848
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -9.219
flat angles P-C4'-P energy: -10.065
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: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -91.841233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.841233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.841233 (E_RNA)
where:
Base-Base interactions energy: -39.071
where: short stacking energy: -30.803
Base-Backbone interact. energy: -0.119
local terms energy: -52.650880
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -8.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -91.720066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.720066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.720066 (E_RNA)
where:
Base-Base interactions energy: -32.091
where: short stacking energy: -31.202
Base-Backbone interact. energy: 1.094
local terms energy: -60.722563
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -215.875030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.875030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.875030 (E_RNA)
where:
Base-Base interactions energy: -145.701
where: short stacking energy: -63.403
Base-Backbone interact. energy: -0.146
local terms energy: -70.027960
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -250.555859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.555859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.555859 (E_RNA)
where:
Base-Base interactions energy: -174.352
where: short stacking energy: -71.104
Base-Backbone interact. energy: -0.416
local terms energy: -75.788251
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -19.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -234.840153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.840153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.840153 (E_RNA)
where:
Base-Base interactions energy: -155.820
where: short stacking energy: -76.997
Base-Backbone interact. energy: -0.633
local terms energy: -78.386583
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -204.520779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.520779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.520779 (E_RNA)
where:
Base-Base interactions energy: -131.986
where: short stacking energy: -67.962
Base-Backbone interact. energy: -0.001
local terms energy: -72.533163
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -183.494959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.494959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.494959 (E_RNA)
where:
Base-Base interactions energy: -128.607
where: short stacking energy: -60.768
Base-Backbone interact. energy: -0.055
local terms energy: -54.833154
where:
bonds (distance) C4'-P energy: -9.041
bonds (distance) P-C4' energy: -7.399
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -18.436
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: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -170.819467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.819467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.819467 (E_RNA)
where:
Base-Base interactions energy: -113.231
where: short stacking energy: -52.447
Base-Backbone interact. energy: -0.061
local terms energy: -57.527353
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -7.636
flat angles P-C4'-P energy: -8.835
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: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -101.799199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.799199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.799199 (E_RNA)
where:
Base-Base interactions energy: -47.609
where: short stacking energy: -36.630
Base-Backbone interact. energy: -0.137
local terms energy: -54.053492
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -3.193
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: 254
Temperature: 1.250000
Total energy: -83.477777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.477777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.477777 (E_RNA)
where:
Base-Base interactions energy: -34.281
where: short stacking energy: -24.611
Base-Backbone interact. energy: -0.126
local terms energy: -49.070708
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: 6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -94.399027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.399027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.399027 (E_RNA)
where:
Base-Base interactions energy: -36.080
where: short stacking energy: -26.429
Base-Backbone interact. energy: -0.768
local terms energy: -57.550964
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -90.373162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.373162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.373162 (E_RNA)
where:
Base-Base interactions energy: -42.086
where: short stacking energy: -23.918
Base-Backbone interact. energy: -0.229
local terms energy: -48.058466
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -214.135313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.135313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.135313 (E_RNA)
where:
Base-Base interactions energy: -138.463
where: short stacking energy: -63.326
Base-Backbone interact. energy: -0.145
local terms energy: -75.527032
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -18.142
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: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -239.588762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.588762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.588762 (E_RNA)
where:
Base-Base interactions energy: -163.949
where: short stacking energy: -72.609
Base-Backbone interact. energy: -0.994
local terms energy: -74.645545
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -224.586603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.586603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.586603 (E_RNA)
where:
Base-Base interactions energy: -151.778
where: short stacking energy: -68.873
Base-Backbone interact. energy: -0.296
local terms energy: -72.512347
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -191.880015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.880015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.880015 (E_RNA)
where:
Base-Base interactions energy: -118.740
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.124
local terms energy: -73.015683
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -13.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -203.112363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.112363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.112363 (E_RNA)
where:
Base-Base interactions energy: -128.807
where: short stacking energy: -58.198
Base-Backbone interact. energy: -0.045
local terms energy: -74.260681
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -15.394
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: 255
Temperature: 1.150000
Total energy: -111.337417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.337417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.337417 (E_RNA)
where:
Base-Base interactions energy: -57.845
where: short stacking energy: -45.024
Base-Backbone interact. energy: -0.158
local terms energy: -53.335269
where:
bonds (distance) C4'-P energy: -7.750
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -174.776030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.776030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.776030 (E_RNA)
where:
Base-Base interactions energy: -105.122
where: short stacking energy: -60.999
Base-Backbone interact. energy: -0.001
local terms energy: -69.652654
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -103.865686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.865686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.865686 (E_RNA)
where:
Base-Base interactions energy: -43.955
where: short stacking energy: -43.955
Base-Backbone interact. energy: -0.235
local terms energy: -59.675175
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -9.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -84.128826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.128826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.128826 (E_RNA)
where:
Base-Base interactions energy: -41.542
where: short stacking energy: -23.639
Base-Backbone interact. energy: -0.016
local terms energy: -42.570621
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: 2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -84.789771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.789771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.789771 (E_RNA)
where:
Base-Base interactions energy: -52.088
where: short stacking energy: -42.040
Base-Backbone interact. energy: -0.167
local terms energy: -32.534249
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -5.624
flat angles P-C4'-P energy: 2.783
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -227.090164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.090164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.090164 (E_RNA)
where:
Base-Base interactions energy: -150.600
where: short stacking energy: -63.870
Base-Backbone interact. energy: -0.486
local terms energy: -76.004011
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -221.007757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.007757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.007757 (E_RNA)
where:
Base-Base interactions energy: -141.241
where: short stacking energy: -67.166
Base-Backbone interact. energy: -0.179
local terms energy: -79.588173
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -19.533
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: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -197.664235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.664235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.664235 (E_RNA)
where:
Base-Base interactions energy: -129.216
where: short stacking energy: -63.721
Base-Backbone interact. energy: -0.824
local terms energy: -67.624047
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -9.817
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: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -210.949051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.949051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.949051 (E_RNA)
where:
Base-Base interactions energy: -137.535
where: short stacking energy: -74.744
Base-Backbone interact. energy: -0.225
local terms energy: -73.189224
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -22.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -191.186872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.186872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.186872 (E_RNA)
where:
Base-Base interactions energy: -115.504
where: short stacking energy: -58.338
Base-Backbone interact. energy: -0.001
local terms energy: -75.681746
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -112.161560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.161560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.161560 (E_RNA)
where:
Base-Base interactions energy: -50.117
where: short stacking energy: -47.618
Base-Backbone interact. energy: -0.036
local terms energy: -62.008978
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -9.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -158.620876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.620876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.620876 (E_RNA)
where:
Base-Base interactions energy: -92.703
where: short stacking energy: -55.521
Base-Backbone interact. energy: -0.090
local terms energy: -65.827380
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -14.683
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: 256
Temperature: 1.250000
Total energy: -88.699092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.699092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.699092 (E_RNA)
where:
Base-Base interactions energy: -37.915
where: short stacking energy: -36.325
Base-Backbone interact. energy: 1.060
local terms energy: -51.844121
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -82.995914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.995914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.995914 (E_RNA)
where:
Base-Base interactions energy: -42.803
where: short stacking energy: -26.014
Base-Backbone interact. energy: -0.396
local terms energy: -39.797175
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -83.276429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.276429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.276429 (E_RNA)
where:
Base-Base interactions energy: -36.696
where: short stacking energy: -31.756
Base-Backbone interact. energy: -0.683
local terms energy: -45.897857
where:
bonds (distance) C4'-P energy: -8.870
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -5.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -227.795928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.795928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.795928 (E_RNA)
where:
Base-Base interactions energy: -145.114
where: short stacking energy: -75.063
Base-Backbone interact. energy: -0.000
local terms energy: -82.681831
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -224.877490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.877490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.877490 (E_RNA)
where:
Base-Base interactions energy: -149.806
where: short stacking energy: -65.813
Base-Backbone interact. energy: -0.360
local terms energy: -74.711957
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -17.794
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: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -203.258055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.258055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.258055 (E_RNA)
where:
Base-Base interactions energy: -131.112
where: short stacking energy: -71.127
Base-Backbone interact. energy: 0.564
local terms energy: -72.710136
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -11.799
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: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -223.064992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.064992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.064992 (E_RNA)
where:
Base-Base interactions energy: -142.756
where: short stacking energy: -74.161
Base-Backbone interact. energy: -0.952
local terms energy: -79.357199
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -23.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -185.426733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.426733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.426733 (E_RNA)
where:
Base-Base interactions energy: -118.698
where: short stacking energy: -57.825
Base-Backbone interact. energy: 0.682
local terms energy: -67.410888
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -177.961935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.961935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.961935 (E_RNA)
where:
Base-Base interactions energy: -110.087
where: short stacking energy: -47.554
Base-Backbone interact. energy: -0.110
local terms energy: -67.765368
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -95.200889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.200889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.200889 (E_RNA)
where:
Base-Base interactions energy: -48.789
where: short stacking energy: -25.788
Base-Backbone interact. energy: 0.953
local terms energy: -47.365292
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -91.562863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.562863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.562863 (E_RNA)
where:
Base-Base interactions energy: -44.748
where: short stacking energy: -28.357
Base-Backbone interact. energy: -0.207
local terms energy: -46.607358
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -8.528
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: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -101.689494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.689494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.689494 (E_RNA)
where:
Base-Base interactions energy: -53.222
where: short stacking energy: -31.093
Base-Backbone interact. energy: 3.844
local terms energy: -52.311654
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -2.210
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: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -93.470403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.470403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.470403 (E_RNA)
where:
Base-Base interactions energy: -43.920
where: short stacking energy: -25.272
Base-Backbone interact. energy: -0.059
local terms energy: -49.491658
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -5.724
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: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -225.955547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.955547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.955547 (E_RNA)
where:
Base-Base interactions energy: -145.023
where: short stacking energy: -75.520
Base-Backbone interact. energy: -0.364
local terms energy: -80.568304
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -17.529
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: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -233.093105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.093105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.093105 (E_RNA)
where:
Base-Base interactions energy: -153.149
where: short stacking energy: -67.840
Base-Backbone interact. energy: -0.575
local terms energy: -79.368668
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -224.285778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.285778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.285778 (E_RNA)
where:
Base-Base interactions energy: -133.899
where: short stacking energy: -71.425
Base-Backbone interact. energy: -0.054
local terms energy: -90.332613
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -198.264317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.264317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.264317 (E_RNA)
where:
Base-Base interactions energy: -136.748
where: short stacking energy: -56.072
Base-Backbone interact. energy: -0.119
local terms energy: -61.397458
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -182.004436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.004436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.004436 (E_RNA)
where:
Base-Base interactions energy: -105.896
where: short stacking energy: -61.764
Base-Backbone interact. energy: 0.100
local terms energy: -76.208066
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -13.940
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: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -174.914130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.914130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.914130 (E_RNA)
where:
Base-Base interactions energy: -105.092
where: short stacking energy: -70.126
Base-Backbone interact. energy: -0.035
local terms energy: -69.787831
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -6.569
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: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -96.195994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.195994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.195994 (E_RNA)
where:
Base-Base interactions energy: -35.844
where: short stacking energy: -32.536
Base-Backbone interact. energy: -0.181
local terms energy: -60.171298
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: -7.674
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: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -131.967958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.967958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.967958 (E_RNA)
where:
Base-Base interactions energy: -67.692
where: short stacking energy: -38.356
Base-Backbone interact. energy: -0.059
local terms energy: -64.217117
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -12.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -94.952172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.952172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.952172 (E_RNA)
where:
Base-Base interactions energy: -47.345
where: short stacking energy: -32.573
Base-Backbone interact. energy: -0.649
local terms energy: -46.958520
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -9.000
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: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -92.222528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.222528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.222528 (E_RNA)
where:
Base-Base interactions energy: -39.906
where: short stacking energy: -39.906
Base-Backbone interact. energy: -0.096
local terms energy: -52.220592
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -225.872660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.872660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.872660 (E_RNA)
where:
Base-Base interactions energy: -150.278
where: short stacking energy: -63.342
Base-Backbone interact. energy: -0.354
local terms energy: -75.240061
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -241.405341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.405341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.405341 (E_RNA)
where:
Base-Base interactions energy: -161.488
where: short stacking energy: -76.122
Base-Backbone interact. energy: -0.002
local terms energy: -79.915726
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -230.174206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.174206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.174206 (E_RNA)
where:
Base-Base interactions energy: -145.818
where: short stacking energy: -63.852
Base-Backbone interact. energy: -0.075
local terms energy: -84.281567
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -21.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -204.702536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.702536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.702536 (E_RNA)
where:
Base-Base interactions energy: -141.807
where: short stacking energy: -68.256
Base-Backbone interact. energy: -0.021
local terms energy: -62.875125
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -13.179
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: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -197.640417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.640417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.640417 (E_RNA)
where:
Base-Base interactions energy: -120.194
where: short stacking energy: -66.237
Base-Backbone interact. energy: -0.700
local terms energy: -76.746264
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -103.376172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.376172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.376172 (E_RNA)
where:
Base-Base interactions energy: -44.091
where: short stacking energy: -37.041
Base-Backbone interact. energy: 0.585
local terms energy: -59.870390
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -12.250
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: 7, replica: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -159.150777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.150777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.150777 (E_RNA)
where:
Base-Base interactions energy: -98.755
where: short stacking energy: -50.684
Base-Backbone interact. energy: -0.151
local terms energy: -60.244360
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -170.543126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.543126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.543126 (E_RNA)
where:
Base-Base interactions energy: -108.269
where: short stacking energy: -44.775
Base-Backbone interact. energy: -0.009
local terms energy: -62.264685
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -87.421910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.421910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.421910 (E_RNA)
where:
Base-Base interactions energy: -37.355
where: short stacking energy: -33.131
Base-Backbone interact. energy: -0.056
local terms energy: -50.010709
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -75.462527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.462527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.462527 (E_RNA)
where:
Base-Base interactions energy: -27.768
where: short stacking energy: -27.768
Base-Backbone interact. energy: -0.102
local terms energy: -47.592282
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -220.788162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.788162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.788162 (E_RNA)
where:
Base-Base interactions energy: -145.152
where: short stacking energy: -72.489
Base-Backbone interact. energy: -0.042
local terms energy: -75.593329
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -14.432
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: 2, replica: 6
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -213.851198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.851198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.851198 (E_RNA)
where:
Base-Base interactions energy: -142.485
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.954
local terms energy: -70.412646
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -210.962542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.962542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.962542 (E_RNA)
where:
Base-Base interactions energy: -135.591
where: short stacking energy: -72.495
Base-Backbone interact. energy: 1.421
local terms energy: -76.792391
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -210.764610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.764610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.764610 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -68.734
Base-Backbone interact. energy: -0.001
local terms energy: -78.377435
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -18.532
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: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -211.780872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.780872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.780872 (E_RNA)
where:
Base-Base interactions energy: -146.826
where: short stacking energy: -56.042
Base-Backbone interact. energy: -0.999
local terms energy: -63.955700
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -9.668
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: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -111.639179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.639179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.639179 (E_RNA)
where:
Base-Base interactions energy: -56.237
where: short stacking energy: -39.843
Base-Backbone interact. energy: -0.099
local terms energy: -55.303119
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -182.062747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.062747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.062747 (E_RNA)
where:
Base-Base interactions energy: -120.584
where: short stacking energy: -52.838
Base-Backbone interact. energy: -0.153
local terms energy: -61.325784
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -12.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -160.903233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.903233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.903233 (E_RNA)
where:
Base-Base interactions energy: -93.692
where: short stacking energy: -53.754
Base-Backbone interact. energy: -0.293
local terms energy: -66.918019
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -91.784003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.784003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.784003 (E_RNA)
where:
Base-Base interactions energy: -35.989
where: short stacking energy: -29.644
Base-Backbone interact. energy: -0.594
local terms energy: -55.201414
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -90.222419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.222419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.222419 (E_RNA)
where:
Base-Base interactions energy: -37.495
where: short stacking energy: -23.165
Base-Backbone interact. energy: -0.514
local terms energy: -52.213090
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: 4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -222.715831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.715831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.715831 (E_RNA)
where:
Base-Base interactions energy: -148.786
where: short stacking energy: -74.090
Base-Backbone interact. energy: -0.274
local terms energy: -73.655941
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -210.293972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.293972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.293972 (E_RNA)
where:
Base-Base interactions energy: -130.088
where: short stacking energy: -65.458
Base-Backbone interact. energy: -2.358
local terms energy: -77.847683
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -8.341
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: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -217.759690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.759690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.759690 (E_RNA)
where:
Base-Base interactions energy: -142.809
where: short stacking energy: -70.772
Base-Backbone interact. energy: -0.012
local terms energy: -74.938065
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -12.330
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: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -213.388873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.388873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.388873 (E_RNA)
where:
Base-Base interactions energy: -139.706
where: short stacking energy: -65.609
Base-Backbone interact. energy: -0.091
local terms energy: -73.591562
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -20.099
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: 261
Temperature: 1.100000
Total energy: -219.915260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.915260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.915260 (E_RNA)
where:
Base-Base interactions energy: -156.267
where: short stacking energy: -56.008
Base-Backbone interact. energy: -0.515
local terms energy: -63.133945
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -11.198
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.279
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: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -152.685918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.685918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.685918 (E_RNA)
where:
Base-Base interactions energy: -86.896
where: short stacking energy: -46.226
Base-Backbone interact. energy: -0.153
local terms energy: -65.636046
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -11.135
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: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -103.758941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.758941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.758941 (E_RNA)
where:
Base-Base interactions energy: -51.264
where: short stacking energy: -42.864
Base-Backbone interact. energy: -0.424
local terms energy: -52.071191
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -150.132072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.132072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.132072 (E_RNA)
where:
Base-Base interactions energy: -94.622
where: short stacking energy: -43.249
Base-Backbone interact. energy: 0.373
local terms energy: -55.883200
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -11.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -93.583519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.583519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.583519 (E_RNA)
where:
Base-Base interactions energy: -46.232
where: short stacking energy: -25.299
Base-Backbone interact. energy: -0.354
local terms energy: -46.997329
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -6.411
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: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -80.756019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.756019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.756019 (E_RNA)
where:
Base-Base interactions energy: -38.440
where: short stacking energy: -32.542
Base-Backbone interact. energy: -0.060
local terms energy: -42.256443
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -7.284
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -223.599290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.599290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.599290 (E_RNA)
where:
Base-Base interactions energy: -141.980
where: short stacking energy: -69.038
Base-Backbone interact. energy: -1.186
local terms energy: -80.433519
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -19.596
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: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -214.314042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.314042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.314042 (E_RNA)
where:
Base-Base interactions energy: -141.679
where: short stacking energy: -65.118
Base-Backbone interact. energy: -0.075
local terms energy: -72.559749
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -22.310
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: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -221.948419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.948419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.948419 (E_RNA)
where:
Base-Base interactions energy: -140.343
where: short stacking energy: -73.284
Base-Backbone interact. energy: -0.522
local terms energy: -81.083561
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -23.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -209.199457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.199457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.199457 (E_RNA)
where:
Base-Base interactions energy: -138.557
where: short stacking energy: -65.372
Base-Backbone interact. energy: -0.021
local terms energy: -70.621732
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -9.439
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: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -186.124553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.124553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.124553 (E_RNA)
where:
Base-Base interactions energy: -115.068
where: short stacking energy: -42.299
Base-Backbone interact. energy: -0.122
local terms energy: -70.934558
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -180.399001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.399001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.399001 (E_RNA)
where:
Base-Base interactions energy: -121.971
where: short stacking energy: -51.969
Base-Backbone interact. energy: -0.382
local terms energy: -58.045980
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -10.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -148.551880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.551880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.551880 (E_RNA)
where:
Base-Base interactions energy: -93.500
where: short stacking energy: -47.889
Base-Backbone interact. energy: -1.301
local terms energy: -53.750973
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -1.955
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -95.215310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.215310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.215310 (E_RNA)
where:
Base-Base interactions energy: -42.045
where: short stacking energy: -23.925
Base-Backbone interact. energy: -0.232
local terms energy: -52.938786
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -5.834
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: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -93.699188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.699188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.699188 (E_RNA)
where:
Base-Base interactions energy: -47.361
where: short stacking energy: -30.973
Base-Backbone interact. energy: -0.865
local terms energy: -45.473158
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -3.816
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: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -82.414234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.414234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.414234 (E_RNA)
where:
Base-Base interactions energy: -29.560
where: short stacking energy: -29.560
Base-Backbone interact. energy: -0.524
local terms energy: -52.330537
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -232.365309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.365309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.365309 (E_RNA)
where:
Base-Base interactions energy: -153.335
where: short stacking energy: -64.066
Base-Backbone interact. energy: -1.175
local terms energy: -77.855253
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -12.584
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: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -223.779783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.779783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.779783 (E_RNA)
where:
Base-Base interactions energy: -142.534
where: short stacking energy: -69.898
Base-Backbone interact. energy: -0.337
local terms energy: -80.908098
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -11.604
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: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -213.906197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.906197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.906197 (E_RNA)
where:
Base-Base interactions energy: -139.277
where: short stacking energy: -80.405
Base-Backbone interact. energy: -0.001
local terms energy: -74.628504
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -21.023
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: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -210.883114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.883114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.883114 (E_RNA)
where:
Base-Base interactions energy: -144.596
where: short stacking energy: -71.052
Base-Backbone interact. energy: -1.062
local terms energy: -65.225327
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -189.363591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.363591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.363591 (E_RNA)
where:
Base-Base interactions energy: -112.265
where: short stacking energy: -47.171
Base-Backbone interact. energy: -1.016
local terms energy: -76.083281
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -15.139
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: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -201.321411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.321411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.321411 (E_RNA)
where:
Base-Base interactions energy: -131.149
where: short stacking energy: -54.592
Base-Backbone interact. energy: -0.171
local terms energy: -70.001136
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -158.612770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.612770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.612770 (E_RNA)
where:
Base-Base interactions energy: -102.709
where: short stacking energy: -44.967
Base-Backbone interact. energy: -0.063
local terms energy: -55.840917
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -100.277158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.277158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.277158 (E_RNA)
where:
Base-Base interactions energy: -36.559
where: short stacking energy: -36.559
Base-Backbone interact. energy: -0.146
local terms energy: -63.572249
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -79.622487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.622487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.622487 (E_RNA)
where:
Base-Base interactions energy: -25.773
where: short stacking energy: -25.773
Base-Backbone interact. energy: -0.361
local terms energy: -53.488443
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -86.496905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.496905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.496905 (E_RNA)
where:
Base-Base interactions energy: -34.199
where: short stacking energy: -34.199
Base-Backbone interact. energy: -0.058
local terms energy: -52.240250
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -230.326746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.326746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.326746 (E_RNA)
where:
Base-Base interactions energy: -156.352
where: short stacking energy: -70.220
Base-Backbone interact. energy: -0.328
local terms energy: -73.646521
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -222.792799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.792799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.792799 (E_RNA)
where:
Base-Base interactions energy: -141.315
where: short stacking energy: -71.858
Base-Backbone interact. energy: -1.089
local terms energy: -80.388476
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -21.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -218.339666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.339666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.339666 (E_RNA)
where:
Base-Base interactions energy: -140.161
where: short stacking energy: -71.157
Base-Backbone interact. energy: -0.273
local terms energy: -77.905963
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -213.711024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.711024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.711024 (E_RNA)
where:
Base-Base interactions energy: -135.058
where: short stacking energy: -66.180
Base-Backbone interact. energy: -0.544
local terms energy: -78.108291
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -14.618
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: 5, replica: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -200.844047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.844047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.844047 (E_RNA)
where:
Base-Base interactions energy: -131.295
where: short stacking energy: -58.584
Base-Backbone interact. energy: -0.011
local terms energy: -69.537871
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -186.492639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.492639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.492639 (E_RNA)
where:
Base-Base interactions energy: -113.011
where: short stacking energy: -57.683
Base-Backbone interact. energy: -0.517
local terms energy: -72.965079
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -160.244764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.244764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.244764 (E_RNA)
where:
Base-Base interactions energy: -95.853
where: short stacking energy: -37.404
Base-Backbone interact. energy: -0.195
local terms energy: -64.196851
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -90.335868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.335868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.335868 (E_RNA)
where:
Base-Base interactions energy: -39.649
where: short stacking energy: -31.462
Base-Backbone interact. energy: -0.078
local terms energy: -50.609345
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -4.857
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: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -91.987326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.987326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.987326 (E_RNA)
where:
Base-Base interactions energy: -38.062
where: short stacking energy: -36.145
Base-Backbone interact. energy: -0.799
local terms energy: -53.126284
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -77.684542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.684542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.684542 (E_RNA)
where:
Base-Base interactions energy: -25.356
where: short stacking energy: -25.313
Base-Backbone interact. energy: -0.278
local terms energy: -52.050244
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: 1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -223.930191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.930191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.930191 (E_RNA)
where:
Base-Base interactions energy: -144.261
where: short stacking energy: -78.172
Base-Backbone interact. energy: -1.020
local terms energy: -78.649523
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -10.938
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: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -218.620280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.620280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.620280 (E_RNA)
where:
Base-Base interactions energy: -142.152
where: short stacking energy: -70.961
Base-Backbone interact. energy: -0.019
local terms energy: -76.449381
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -17.017
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: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -198.979230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.979230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.979230 (E_RNA)
where:
Base-Base interactions energy: -132.184
where: short stacking energy: -53.766
Base-Backbone interact. energy: -0.054
local terms energy: -66.741525
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -9.187
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: 4, replica: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -207.951759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.951759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.951759 (E_RNA)
where:
Base-Base interactions energy: -136.854
where: short stacking energy: -51.436
Base-Backbone interact. energy: -0.128
local terms energy: -70.970335
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -199.573647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.573647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.573647 (E_RNA)
where:
Base-Base interactions energy: -137.861
where: short stacking energy: -67.922
Base-Backbone interact. energy: -0.073
local terms energy: -61.639244
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -13.384
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: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -165.953283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.953283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.953283 (E_RNA)
where:
Base-Base interactions energy: -101.073
where: short stacking energy: -49.124
Base-Backbone interact. energy: -0.128
local terms energy: -64.752734
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -10.495
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: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -158.993083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.993083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.993083 (E_RNA)
where:
Base-Base interactions energy: -97.482
where: short stacking energy: -47.845
Base-Backbone interact. energy: -0.003
local terms energy: -61.508491
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -10.652
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: 265
Temperature: 1.250000
Total energy: -94.237445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.237445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.237445 (E_RNA)
where:
Base-Base interactions energy: -41.901
where: short stacking energy: -30.564
Base-Backbone interact. energy: -0.125
local terms energy: -52.211468
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -91.523390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.523390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.523390 (E_RNA)
where:
Base-Base interactions energy: -38.835
where: short stacking energy: -38.835
Base-Backbone interact. energy: -0.031
local terms energy: -52.657681
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -83.299721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.299721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.299721 (E_RNA)
where:
Base-Base interactions energy: -24.773
where: short stacking energy: -17.549
Base-Backbone interact. energy: -0.331
local terms energy: -58.196221
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -239.021522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.021522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.021522 (E_RNA)
where:
Base-Base interactions energy: -162.628
where: short stacking energy: -76.327
Base-Backbone interact. energy: 0.635
local terms energy: -77.028214
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -217.712933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.712933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.712933 (E_RNA)
where:
Base-Base interactions energy: -141.622
where: short stacking energy: -73.817
Base-Backbone interact. energy: -0.270
local terms energy: -75.821253
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -235.667440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.667440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.667440 (E_RNA)
where:
Base-Base interactions energy: -159.233
where: short stacking energy: -62.835
Base-Backbone interact. energy: -0.258
local terms energy: -76.176972
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -198.052686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.052686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.052686 (E_RNA)
where:
Base-Base interactions energy: -127.894
where: short stacking energy: -70.699
Base-Backbone interact. energy: -0.211
local terms energy: -69.947767
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -10.651
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: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -198.280759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.280759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.280759 (E_RNA)
where:
Base-Base interactions energy: -122.751
where: short stacking energy: -70.240
Base-Backbone interact. energy: 0.009
local terms energy: -75.538788
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -19.175
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: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -182.030105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.030105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.030105 (E_RNA)
where:
Base-Base interactions energy: -112.414
where: short stacking energy: -57.289
Base-Backbone interact. energy: -0.638
local terms energy: -68.978166
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -15.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -154.111102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.111102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.111102 (E_RNA)
where:
Base-Base interactions energy: -89.817
where: short stacking energy: -52.721
Base-Backbone interact. energy: -1.065
local terms energy: -63.228873
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -11.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -105.629741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.629741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.629741 (E_RNA)
where:
Base-Base interactions energy: -58.737
where: short stacking energy: -36.797
Base-Backbone interact. energy: -0.920
local terms energy: -45.973145
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -7.812
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -81.457095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.457095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.457095 (E_RNA)
where:
Base-Base interactions energy: -32.732
where: short stacking energy: -26.094
Base-Backbone interact. energy: -0.232
local terms energy: -48.493245
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: 1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -86.638475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.638475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.638475 (E_RNA)
where:
Base-Base interactions energy: -38.907
where: short stacking energy: -33.785
Base-Backbone interact. energy: -0.177
local terms energy: -47.554026
where:
bonds (distance) C4'-P energy: -6.418
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -8.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -231.811026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.811026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.811026 (E_RNA)
where:
Base-Base interactions energy: -155.667
where: short stacking energy: -72.351
Base-Backbone interact. energy: -0.297
local terms energy: -75.847574
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -11.104
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: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -241.024109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.024109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.024109 (E_RNA)
where:
Base-Base interactions energy: -167.139
where: short stacking energy: -72.756
Base-Backbone interact. energy: -0.106
local terms energy: -73.779202
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -229.473817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.473817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.473817 (E_RNA)
where:
Base-Base interactions energy: -151.021
where: short stacking energy: -71.842
Base-Backbone interact. energy: -0.002
local terms energy: -78.451421
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -177.478214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.478214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.478214 (E_RNA)
where:
Base-Base interactions energy: -113.114
where: short stacking energy: -55.215
Base-Backbone interact. energy: -0.024
local terms energy: -64.339911
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -193.359593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.359593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.359593 (E_RNA)
where:
Base-Base interactions energy: -124.375
where: short stacking energy: -49.507
Base-Backbone interact. energy: -0.117
local terms energy: -68.867760
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -9.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -174.719836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.719836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.719836 (E_RNA)
where:
Base-Base interactions energy: -107.256
where: short stacking energy: -66.805
Base-Backbone interact. energy: -0.006
local terms energy: -67.458071
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -164.151454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.151454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.151454 (E_RNA)
where:
Base-Base interactions energy: -103.286
where: short stacking energy: -50.032
Base-Backbone interact. energy: -0.373
local terms energy: -60.491863
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -86.611107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.611107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.611107 (E_RNA)
where:
Base-Base interactions energy: -33.537
where: short stacking energy: -33.537
Base-Backbone interact. energy: 0.441
local terms energy: -53.514535
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -0.593
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: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -85.725790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.725790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.725790 (E_RNA)
where:
Base-Base interactions energy: -26.241
where: short stacking energy: -26.341
Base-Backbone interact. energy: -0.108
local terms energy: -59.376088
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -89.569084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.569084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.569084 (E_RNA)
where:
Base-Base interactions energy: -32.408
where: short stacking energy: -30.793
Base-Backbone interact. energy: -0.096
local terms energy: -57.064710
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -6.614
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: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -244.189587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.189587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.189587 (E_RNA)
where:
Base-Base interactions energy: -164.073
where: short stacking energy: -71.344
Base-Backbone interact. energy: 0.910
local terms energy: -81.026791
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -215.833967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.833967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.833967 (E_RNA)
where:
Base-Base interactions energy: -142.084
where: short stacking energy: -53.505
Base-Backbone interact. energy: -0.642
local terms energy: -73.108244
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -204.154375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.154375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.154375 (E_RNA)
where:
Base-Base interactions energy: -136.373
where: short stacking energy: -65.786
Base-Backbone interact. energy: -0.992
local terms energy: -66.789717
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -12.058
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: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -188.854687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.854687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.854687 (E_RNA)
where:
Base-Base interactions energy: -122.119
where: short stacking energy: -62.222
Base-Backbone interact. energy: -0.034
local terms energy: -66.701097
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -178.899719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.899719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.899719 (E_RNA)
where:
Base-Base interactions energy: -108.331
where: short stacking energy: -56.384
Base-Backbone interact. energy: -0.038
local terms energy: -70.530781
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -10.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -177.152800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.152800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.152800 (E_RNA)
where:
Base-Base interactions energy: -113.228
where: short stacking energy: -42.707
Base-Backbone interact. energy: 0.414
local terms energy: -64.339034
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -9.677
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: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -186.340589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.340589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.340589 (E_RNA)
where:
Base-Base interactions energy: -118.243
where: short stacking energy: -50.512
Base-Backbone interact. energy: -0.018
local terms energy: -68.079488
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -8.867
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: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -101.375332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.375332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.375332 (E_RNA)
where:
Base-Base interactions energy: -61.614
where: short stacking energy: -31.895
Base-Backbone interact. energy: 1.820
local terms energy: -41.581419
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -7.851
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: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -89.542318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.542318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.542318 (E_RNA)
where:
Base-Base interactions energy: -39.805
where: short stacking energy: -36.958
Base-Backbone interact. energy: -0.575
local terms energy: -49.162677
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -5.881
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: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -89.559915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.559915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.559915 (E_RNA)
where:
Base-Base interactions energy: -52.489
where: short stacking energy: -33.918
Base-Backbone interact. energy: -0.420
local terms energy: -36.650878
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -8.971
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -243.384018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.384018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.384018 (E_RNA)
where:
Base-Base interactions energy: -166.573
where: short stacking energy: -68.883
Base-Backbone interact. energy: 1.106
local terms energy: -77.916599
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -17.784
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: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -210.003034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.003034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.003034 (E_RNA)
where:
Base-Base interactions energy: -134.042
where: short stacking energy: -64.411
Base-Backbone interact. energy: -0.014
local terms energy: -75.946800
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -214.848074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.848074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.848074 (E_RNA)
where:
Base-Base interactions energy: -143.588
where: short stacking energy: -70.118
Base-Backbone interact. energy: -1.029
local terms energy: -70.230836
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -18.528
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: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -177.568818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.568818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.568818 (E_RNA)
where:
Base-Base interactions energy: -107.132
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.154
local terms energy: -70.283055
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -10.388
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: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -169.158439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.158439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.158439 (E_RNA)
where:
Base-Base interactions energy: -101.160
where: short stacking energy: -54.874
Base-Backbone interact. energy: -0.005
local terms energy: -67.994066
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -193.989597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.989597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.989597 (E_RNA)
where:
Base-Base interactions energy: -129.402
where: short stacking energy: -53.485
Base-Backbone interact. energy: 0.457
local terms energy: -65.044514
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -151.528840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.528840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.528840 (E_RNA)
where:
Base-Base interactions energy: -89.551
where: short stacking energy: -53.123
Base-Backbone interact. energy: 0.253
local terms energy: -62.231104
where:
bonds (distance) C4'-P energy: -5.212
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -14.452
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: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -94.702752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.702752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.702752 (E_RNA)
where:
Base-Base interactions energy: -41.790
where: short stacking energy: -28.885
Base-Backbone interact. energy: 0.152
local terms energy: -53.065012
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -87.908430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.908430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.908430 (E_RNA)
where:
Base-Base interactions energy: -33.447
where: short stacking energy: -33.447
Base-Backbone interact. energy: -0.023
local terms energy: -54.438289
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -8.206
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -81.097761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.097761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.097761 (E_RNA)
where:
Base-Base interactions energy: -27.277
where: short stacking energy: -25.331
Base-Backbone interact. energy: -0.206
local terms energy: -53.615319
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -9.753
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: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -243.159635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.159635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.159635 (E_RNA)
where:
Base-Base interactions energy: -162.848
where: short stacking energy: -71.032
Base-Backbone interact. energy: -0.125
local terms energy: -80.186153
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -17.599
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: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -204.389304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.389304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.389304 (E_RNA)
where:
Base-Base interactions energy: -122.359
where: short stacking energy: -61.217
Base-Backbone interact. energy: -2.718
local terms energy: -79.311798
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -10.465
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: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -213.062668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.062668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.062668 (E_RNA)
where:
Base-Base interactions energy: -137.253
where: short stacking energy: -64.549
Base-Backbone interact. energy: 0.779
local terms energy: -76.588866
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -186.624653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.624653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.624653 (E_RNA)
where:
Base-Base interactions energy: -116.317
where: short stacking energy: -59.911
Base-Backbone interact. energy: -0.894
local terms energy: -69.413645
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -13.491
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: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -163.999519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.999519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.999519 (E_RNA)
where:
Base-Base interactions energy: -100.837
where: short stacking energy: -52.250
Base-Backbone interact. energy: -0.217
local terms energy: -62.945041
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -9.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -185.839697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.839697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.839697 (E_RNA)
where:
Base-Base interactions energy: -119.935
where: short stacking energy: -59.968
Base-Backbone interact. energy: -0.388
local terms energy: -65.517129
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -12.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -154.110381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.110381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.110381 (E_RNA)
where:
Base-Base interactions energy: -100.435
where: short stacking energy: -34.534
Base-Backbone interact. energy: -0.531
local terms energy: -53.144629
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.644
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: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -96.400273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.400273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.400273 (E_RNA)
where:
Base-Base interactions energy: -30.941
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.067
local terms energy: -65.392060
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -92.342058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.342058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.342058 (E_RNA)
where:
Base-Base interactions energy: -36.489
where: short stacking energy: -34.789
Base-Backbone interact. energy: -0.020
local terms energy: -55.832776
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -75.819822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.819822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.819822 (E_RNA)
where:
Base-Base interactions energy: -32.562
where: short stacking energy: -32.562
Base-Backbone interact. energy: 1.320
local terms energy: -44.578281
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -240.668025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.668025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.668025 (E_RNA)
where:
Base-Base interactions energy: -166.026
where: short stacking energy: -73.176
Base-Backbone interact. energy: -0.329
local terms energy: -74.313834
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -19.772
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: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -234.858297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.858297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.858297 (E_RNA)
where:
Base-Base interactions energy: -148.896
where: short stacking energy: -76.521
Base-Backbone interact. energy: -1.572
local terms energy: -84.390289
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -22.591
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: 3, replica: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -211.612420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.612420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.612420 (E_RNA)
where:
Base-Base interactions energy: -139.286
where: short stacking energy: -68.115
Base-Backbone interact. energy: -0.442
local terms energy: -71.884569
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -16.204
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: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -215.595294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.595294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.595294 (E_RNA)
where:
Base-Base interactions energy: -136.494
where: short stacking energy: -75.403
Base-Backbone interact. energy: 0.937
local terms energy: -80.038253
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -181.720372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.720372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.720372 (E_RNA)
where:
Base-Base interactions energy: -110.512
where: short stacking energy: -56.994
Base-Backbone interact. energy: -0.152
local terms energy: -71.056016
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -13.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -151.738761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.738761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.738761 (E_RNA)
where:
Base-Base interactions energy: -92.134
where: short stacking energy: -46.479
Base-Backbone interact. energy: 1.441
local terms energy: -61.045661
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -175.198369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.198369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.198369 (E_RNA)
where:
Base-Base interactions energy: -105.748
where: short stacking energy: -58.569
Base-Backbone interact. energy: -0.150
local terms energy: -69.300410
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -85.599159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.599159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.599159 (E_RNA)
where:
Base-Base interactions energy: -29.068
where: short stacking energy: -28.455
Base-Backbone interact. energy: 0.235
local terms energy: -56.766707
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -90.274075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.274075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.274075 (E_RNA)
where:
Base-Base interactions energy: -40.331
where: short stacking energy: -25.884
Base-Backbone interact. energy: -0.227
local terms energy: -49.715836
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -80.169948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.169948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.169948 (E_RNA)
where:
Base-Base interactions energy: -30.884
where: short stacking energy: -30.884
Base-Backbone interact. energy: 0.304
local terms energy: -49.590506
where:
bonds (distance) C4'-P energy: -9.154
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -244.353435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.353435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.353435 (E_RNA)
where:
Base-Base interactions energy: -162.340
where: short stacking energy: -76.619
Base-Backbone interact. energy: -0.138
local terms energy: -81.875779
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -242.020061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.020061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.020061 (E_RNA)
where:
Base-Base interactions energy: -163.622
where: short stacking energy: -73.526
Base-Backbone interact. energy: -0.268
local terms energy: -78.129761
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -207.553590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.553590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.553590 (E_RNA)
where:
Base-Base interactions energy: -134.893
where: short stacking energy: -67.223
Base-Backbone interact. energy: -0.011
local terms energy: -72.649704
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -6.028
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: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -206.960883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.960883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.960883 (E_RNA)
where:
Base-Base interactions energy: -125.809
where: short stacking energy: -74.211
Base-Backbone interact. energy: 0.540
local terms energy: -81.691908
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -20.615
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: 272
Temperature: 1.100000
Total energy: -193.232220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.232220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.232220 (E_RNA)
where:
Base-Base interactions energy: -117.365
where: short stacking energy: -66.449
Base-Backbone interact. energy: -0.214
local terms energy: -75.653252
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -18.340
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: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -171.172624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.172624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.172624 (E_RNA)
where:
Base-Base interactions energy: -100.964
where: short stacking energy: -47.940
Base-Backbone interact. energy: -0.070
local terms energy: -70.138978
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -12.865
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: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -155.240575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.240575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.240575 (E_RNA)
where:
Base-Base interactions energy: -97.660
where: short stacking energy: -46.572
Base-Backbone interact. energy: -0.364
local terms energy: -57.216913
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -4.663
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: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -87.701435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.701435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.701435 (E_RNA)
where:
Base-Base interactions energy: -37.248
where: short stacking energy: -32.827
Base-Backbone interact. energy: -0.343
local terms energy: -50.109689
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -95.048953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.048953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.048953 (E_RNA)
where:
Base-Base interactions energy: -45.293
where: short stacking energy: -34.002
Base-Backbone interact. energy: 0.785
local terms energy: -50.540144
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -8.775
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: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -77.219384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.219384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.219384 (E_RNA)
where:
Base-Base interactions energy: -32.242
where: short stacking energy: -23.496
Base-Backbone interact. energy: -1.069
local terms energy: -43.908646
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -4.542
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: 3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -238.206984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.206984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.206984 (E_RNA)
where:
Base-Base interactions energy: -157.942
where: short stacking energy: -75.470
Base-Backbone interact. energy: -0.229
local terms energy: -80.036082
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -17.840
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: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -220.329447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.329447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.329447 (E_RNA)
where:
Base-Base interactions energy: -142.677
where: short stacking energy: -73.243
Base-Backbone interact. energy: -0.148
local terms energy: -77.504633
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -17.516
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: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -215.321777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.321777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.321777 (E_RNA)
where:
Base-Base interactions energy: -140.026
where: short stacking energy: -52.951
Base-Backbone interact. energy: -1.695
local terms energy: -73.600173
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -208.784230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.784230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.784230 (E_RNA)
where:
Base-Base interactions energy: -134.691
where: short stacking energy: -65.327
Base-Backbone interact. energy: 2.791
local terms energy: -76.883732
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -203.515003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.515003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.515003 (E_RNA)
where:
Base-Base interactions energy: -133.255
where: short stacking energy: -60.470
Base-Backbone interact. energy: -0.093
local terms energy: -70.166773
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -13.866
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: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -167.585171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.585171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.585171 (E_RNA)
where:
Base-Base interactions energy: -110.750
where: short stacking energy: -44.040
Base-Backbone interact. energy: -0.364
local terms energy: -56.471698
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -148.059722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.059722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.059722 (E_RNA)
where:
Base-Base interactions energy: -87.372
where: short stacking energy: -48.295
Base-Backbone interact. energy: -0.370
local terms energy: -60.318150
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -94.211363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.211363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.211363 (E_RNA)
where:
Base-Base interactions energy: -37.123
where: short stacking energy: -33.136
Base-Backbone interact. energy: -0.053
local terms energy: -57.035693
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -91.614229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.614229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.614229 (E_RNA)
where:
Base-Base interactions energy: -37.822
where: short stacking energy: -37.822
Base-Backbone interact. energy: -0.133
local terms energy: -53.658563
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -88.738183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.738183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.738183 (E_RNA)
where:
Base-Base interactions energy: -32.166
where: short stacking energy: -32.166
Base-Backbone interact. energy: -0.100
local terms energy: -56.472261
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -8.315
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: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -236.481364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.481364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.481364 (E_RNA)
where:
Base-Base interactions energy: -161.922
where: short stacking energy: -70.191
Base-Backbone interact. energy: 0.420
local terms energy: -74.978857
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -18.055
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: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -224.430307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.430307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.430307 (E_RNA)
where:
Base-Base interactions energy: -143.673
where: short stacking energy: -74.286
Base-Backbone interact. energy: -0.787
local terms energy: -79.970139
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -22.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -212.833799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.833799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.833799 (E_RNA)
where:
Base-Base interactions energy: -135.930
where: short stacking energy: -77.027
Base-Backbone interact. energy: -0.011
local terms energy: -76.892965
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -219.039222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.039222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.039222 (E_RNA)
where:
Base-Base interactions energy: -148.296
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.113
local terms energy: -70.630691
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -14.564
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: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -195.407773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.407773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.407773 (E_RNA)
where:
Base-Base interactions energy: -129.442
where: short stacking energy: -60.901
Base-Backbone interact. energy: -0.558
local terms energy: -65.407795
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -12.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -188.976829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.976829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.976829 (E_RNA)
where:
Base-Base interactions energy: -120.861
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.913
local terms energy: -67.202681
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -171.591215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.591215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.591215 (E_RNA)
where:
Base-Base interactions energy: -102.974
where: short stacking energy: -47.171
Base-Backbone interact. energy: -1.240
local terms energy: -67.377153
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -94.018008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.018008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.018008 (E_RNA)
where:
Base-Base interactions energy: -40.206
where: short stacking energy: -34.605
Base-Backbone interact. energy: -0.152
local terms energy: -53.659791
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -9.335
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: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -86.099601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.099601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.099601 (E_RNA)
where:
Base-Base interactions energy: -30.292
where: short stacking energy: -30.292
Base-Backbone interact. energy: -0.023
local terms energy: -55.784492
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -6.525
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: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -86.800250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.800250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.800250 (E_RNA)
where:
Base-Base interactions energy: -33.842
where: short stacking energy: -33.761
Base-Backbone interact. energy: 0.007
local terms energy: -52.965634
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -10.267
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -6.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -241.114140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.114140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.114140 (E_RNA)
where:
Base-Base interactions energy: -166.184
where: short stacking energy: -69.214
Base-Backbone interact. energy: -0.456
local terms energy: -74.474628
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -220.595896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.595896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.595896 (E_RNA)
where:
Base-Base interactions energy: -143.008
where: short stacking energy: -71.014
Base-Backbone interact. energy: -0.028
local terms energy: -77.559718
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -214.367490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.367490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.367490 (E_RNA)
where:
Base-Base interactions energy: -142.008
where: short stacking energy: -72.687
Base-Backbone interact. energy: 0.556
local terms energy: -72.915181
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -213.349705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.349705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.349705 (E_RNA)
where:
Base-Base interactions energy: -146.123
where: short stacking energy: -58.778
Base-Backbone interact. energy: -0.303
local terms energy: -66.923096
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -191.214772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.214772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.214772 (E_RNA)
where:
Base-Base interactions energy: -115.424
where: short stacking energy: -53.991
Base-Backbone interact. energy: -0.101
local terms energy: -75.689150
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -160.524729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.524729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.524729 (E_RNA)
where:
Base-Base interactions energy: -103.399
where: short stacking energy: -64.217
Base-Backbone interact. energy: -0.225
local terms energy: -56.900946
where:
bonds (distance) C4'-P energy: -6.179
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -147.476164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.476164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.476164 (E_RNA)
where:
Base-Base interactions energy: -90.222
where: short stacking energy: -41.361
Base-Backbone interact. energy: -0.234
local terms energy: -57.020602
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -10.983
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: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -98.361144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.361144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.361144 (E_RNA)
where:
Base-Base interactions energy: -39.457
where: short stacking energy: -39.457
Base-Backbone interact. energy: 0.519
local terms energy: -59.422834
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -10.723
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -7.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -85.770569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.770569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.770569 (E_RNA)
where:
Base-Base interactions energy: -30.725
where: short stacking energy: -24.787
Base-Backbone interact. energy: -0.891
local terms energy: -54.154657
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: 0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -78.756867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.756867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.756867 (E_RNA)
where:
Base-Base interactions energy: -25.989
where: short stacking energy: -28.189
Base-Backbone interact. energy: -0.829
local terms energy: -51.938531
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -241.332804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.332804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.332804 (E_RNA)
where:
Base-Base interactions energy: -161.324
where: short stacking energy: -72.747
Base-Backbone interact. energy: -0.652
local terms energy: -79.357088
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -11.593
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: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -210.963887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.963887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.963887 (E_RNA)
where:
Base-Base interactions energy: -130.582
where: short stacking energy: -68.397
Base-Backbone interact. energy: -0.724
local terms energy: -79.657824
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -229.665005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.665005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.665005 (E_RNA)
where:
Base-Base interactions energy: -159.189
where: short stacking energy: -67.110
Base-Backbone interact. energy: -0.081
local terms energy: -70.395127
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -216.859131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.859131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.859131 (E_RNA)
where:
Base-Base interactions energy: -137.559
where: short stacking energy: -60.335
Base-Backbone interact. energy: -0.510
local terms energy: -78.790978
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -169.090145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.090145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.090145 (E_RNA)
where:
Base-Base interactions energy: -108.687
where: short stacking energy: -56.787
Base-Backbone interact. energy: -0.292
local terms energy: -60.111005
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -152.823894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.823894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.823894 (E_RNA)
where:
Base-Base interactions energy: -94.451
where: short stacking energy: -43.971
Base-Backbone interact. energy: -0.129
local terms energy: -58.244417
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -152.451378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.451378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.451378 (E_RNA)
where:
Base-Base interactions energy: -86.156
where: short stacking energy: -40.873
Base-Backbone interact. energy: -1.276
local terms energy: -65.019726
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -9.901
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: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -92.872667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.872667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.872667 (E_RNA)
where:
Base-Base interactions energy: -36.718
where: short stacking energy: -36.718
Base-Backbone interact. energy: -0.085
local terms energy: -56.069501
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -5.394
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: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -79.830055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.830055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.830055 (E_RNA)
where:
Base-Base interactions energy: -30.222
where: short stacking energy: -29.114
Base-Backbone interact. energy: 0.184
local terms energy: -49.792669
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -5.425
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: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -83.929689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.929689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.929689 (E_RNA)
where:
Base-Base interactions energy: -32.646
where: short stacking energy: -29.049
Base-Backbone interact. energy: -0.074
local terms energy: -51.209046
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -2.703
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -224.133507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.133507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.133507 (E_RNA)
where:
Base-Base interactions energy: -151.806
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.148
local terms energy: -72.179921
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -11.457
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: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -238.620109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.620109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.620109 (E_RNA)
where:
Base-Base interactions energy: -158.665
where: short stacking energy: -67.565
Base-Backbone interact. energy: -0.237
local terms energy: -79.718126
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -216.460192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.460192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.460192 (E_RNA)
where:
Base-Base interactions energy: -140.330
where: short stacking energy: -78.949
Base-Backbone interact. energy: -0.642
local terms energy: -75.488509
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -19.929
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: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -207.678130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.678130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.678130 (E_RNA)
where:
Base-Base interactions energy: -133.136
where: short stacking energy: -53.162
Base-Backbone interact. energy: -0.573
local terms energy: -73.968690
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -14.357
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: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -196.316444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.316444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.316444 (E_RNA)
where:
Base-Base interactions energy: -127.227
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.002
local terms energy: -69.087821
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -9.012
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: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -171.346945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.346945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.346945 (E_RNA)
where:
Base-Base interactions energy: -115.343
where: short stacking energy: -48.196
Base-Backbone interact. energy: 1.141
local terms energy: -57.144872
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -7.492
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -11.570
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: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -176.633048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.633048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.633048 (E_RNA)
where:
Base-Base interactions energy: -112.895
where: short stacking energy: -59.661
Base-Backbone interact. energy: -0.703
local terms energy: -63.035186
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -99.170051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.170051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.170051 (E_RNA)
where:
Base-Base interactions energy: -35.494
where: short stacking energy: -35.353
Base-Backbone interact. energy: -1.199
local terms energy: -62.477137
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -94.798521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.798521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.798521 (E_RNA)
where:
Base-Base interactions energy: -36.578
where: short stacking energy: -36.578
Base-Backbone interact. energy: -0.137
local terms energy: -58.083387
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -9.145
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: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -83.941685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.941685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.941685 (E_RNA)
where:
Base-Base interactions energy: -35.108
where: short stacking energy: -35.108
Base-Backbone interact. energy: -0.016
local terms energy: -48.817650
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -6.362
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -249.438486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.438486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.438486 (E_RNA)
where:
Base-Base interactions energy: -166.881
where: short stacking energy: -74.718
Base-Backbone interact. energy: -0.155
local terms energy: -82.402063
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -20.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -219.399110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.399110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.399110 (E_RNA)
where:
Base-Base interactions energy: -147.406
where: short stacking energy: -70.361
Base-Backbone interact. energy: -0.118
local terms energy: -71.875719
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -199.116591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.116591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.116591 (E_RNA)
where:
Base-Base interactions energy: -122.053
where: short stacking energy: -69.293
Base-Backbone interact. energy: -0.448
local terms energy: -76.615711
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -208.545921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.545921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.545921 (E_RNA)
where:
Base-Base interactions energy: -140.518
where: short stacking energy: -67.435
Base-Backbone interact. energy: -0.024
local terms energy: -68.003874
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -17.404
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: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -182.589736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.589736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.589736 (E_RNA)
where:
Base-Base interactions energy: -112.253
where: short stacking energy: -49.218
Base-Backbone interact. energy: -0.004
local terms energy: -70.332207
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -13.213
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: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -159.924126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.924126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.924126 (E_RNA)
where:
Base-Base interactions energy: -100.080
where: short stacking energy: -45.017
Base-Backbone interact. energy: -1.557
local terms energy: -58.287170
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -5.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -163.872055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.872055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.872055 (E_RNA)
where:
Base-Base interactions energy: -100.004
where: short stacking energy: -44.173
Base-Backbone interact. energy: -0.625
local terms energy: -63.242114
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -95.949867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.949867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.949867 (E_RNA)
where:
Base-Base interactions energy: -40.615
where: short stacking energy: -35.519
Base-Backbone interact. energy: -0.538
local terms energy: -54.797027
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -87.652003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.652003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.652003 (E_RNA)
where:
Base-Base interactions energy: -26.254
where: short stacking energy: -22.475
Base-Backbone interact. energy: -0.295
local terms energy: -61.103547
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -11.887
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: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -80.115961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.115961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.115961 (E_RNA)
where:
Base-Base interactions energy: -32.741
where: short stacking energy: -31.104
Base-Backbone interact. energy: -0.154
local terms energy: -47.221240
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -8.720
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -4.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -235.007947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.007947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.007947 (E_RNA)
where:
Base-Base interactions energy: -154.035
where: short stacking energy: -70.467
Base-Backbone interact. energy: -0.438
local terms energy: -80.535184
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -19.297
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: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -219.752224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.752224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.752224 (E_RNA)
where:
Base-Base interactions energy: -140.085
where: short stacking energy: -64.884
Base-Backbone interact. energy: -0.542
local terms energy: -79.125470
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -14.684
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: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -205.392228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.392228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.392228 (E_RNA)
where:
Base-Base interactions energy: -139.043
where: short stacking energy: -64.148
Base-Backbone interact. energy: 1.829
local terms energy: -68.178631
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -13.435
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: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -180.254864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.254864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.254864 (E_RNA)
where:
Base-Base interactions energy: -122.629
where: short stacking energy: -60.539
Base-Backbone interact. energy: -0.577
local terms energy: -57.048590
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -183.455832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.455832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.455832 (E_RNA)
where:
Base-Base interactions energy: -123.895
where: short stacking energy: -48.595
Base-Backbone interact. energy: -0.335
local terms energy: -59.226010
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -11.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -182.436148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.436148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.436148 (E_RNA)
where:
Base-Base interactions energy: -112.500
where: short stacking energy: -55.836
Base-Backbone interact. energy: -0.235
local terms energy: -69.701462
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -166.608578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.608578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.608578 (E_RNA)
where:
Base-Base interactions energy: -103.747
where: short stacking energy: -40.270
Base-Backbone interact. energy: -0.358
local terms energy: -62.504097
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -88.172078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.172078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.172078 (E_RNA)
where:
Base-Base interactions energy: -35.566
where: short stacking energy: -33.644
Base-Backbone interact. energy: 0.156
local terms energy: -52.761870
where:
bonds (distance) C4'-P energy: -8.287
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -94.514435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.514435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.514435 (E_RNA)
where:
Base-Base interactions energy: -33.829
where: short stacking energy: -34.252
Base-Backbone interact. energy: 0.286
local terms energy: -60.970952
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -93.672821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.672821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.672821 (E_RNA)
where:
Base-Base interactions energy: -34.151
where: short stacking energy: -33.759
Base-Backbone interact. energy: 1.362
local terms energy: -60.883300
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -234.620240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.620240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.620240 (E_RNA)
where:
Base-Base interactions energy: -148.845
where: short stacking energy: -69.113
Base-Backbone interact. energy: -0.158
local terms energy: -85.617195
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -209.670241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.670241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.670241 (E_RNA)
where:
Base-Base interactions energy: -137.971
where: short stacking energy: -52.788
Base-Backbone interact. energy: -0.343
local terms energy: -71.356836
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -206.081641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.081641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.081641 (E_RNA)
where:
Base-Base interactions energy: -128.558
where: short stacking energy: -61.752
Base-Backbone interact. energy: -0.794
local terms energy: -76.729817
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -13.744
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: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -200.582089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.582089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.582089 (E_RNA)
where:
Base-Base interactions energy: -133.887
where: short stacking energy: -64.344
Base-Backbone interact. energy: -0.042
local terms energy: -66.653228
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -9.598
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: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -200.119182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.119182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.119182 (E_RNA)
where:
Base-Base interactions energy: -127.752
where: short stacking energy: -59.657
Base-Backbone interact. energy: -0.076
local terms energy: -72.290713
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -193.585375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.585375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.585375 (E_RNA)
where:
Base-Base interactions energy: -126.129
where: short stacking energy: -57.910
Base-Backbone interact. energy: -0.028
local terms energy: -67.428064
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -11.198
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: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -159.398078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.398078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.398078 (E_RNA)
where:
Base-Base interactions energy: -98.856
where: short stacking energy: -41.757
Base-Backbone interact. energy: -0.179
local terms energy: -60.362876
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -88.542847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.542847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.542847 (E_RNA)
where:
Base-Base interactions energy: -38.242
where: short stacking energy: -30.034
Base-Backbone interact. energy: -0.360
local terms energy: -49.941027
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -88.485318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.485318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.485318 (E_RNA)
where:
Base-Base interactions energy: -43.713
where: short stacking energy: -24.609
Base-Backbone interact. energy: -1.145
local terms energy: -43.626522
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: 5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -91.932626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.932626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.932626 (E_RNA)
where:
Base-Base interactions energy: -28.603
where: short stacking energy: -19.035
Base-Backbone interact. energy: -0.303
local terms energy: -63.026205
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -234.485618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.485618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.485618 (E_RNA)
where:
Base-Base interactions energy: -152.780
where: short stacking energy: -69.777
Base-Backbone interact. energy: -0.299
local terms energy: -81.406996
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -214.798767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.798767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.798767 (E_RNA)
where:
Base-Base interactions energy: -133.915
where: short stacking energy: -66.280
Base-Backbone interact. energy: -0.118
local terms energy: -80.765960
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -20.120
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: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -207.926905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.926905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.926905 (E_RNA)
where:
Base-Base interactions energy: -132.918
where: short stacking energy: -58.766
Base-Backbone interact. energy: -0.715
local terms energy: -74.294682
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -204.799152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.799152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.799152 (E_RNA)
where:
Base-Base interactions energy: -136.375
where: short stacking energy: -58.159
Base-Backbone interact. energy: -0.058
local terms energy: -68.366162
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -14.394
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: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -194.594547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.594547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.594547 (E_RNA)
where:
Base-Base interactions energy: -118.921
where: short stacking energy: -52.320
Base-Backbone interact. energy: -0.186
local terms energy: -75.487556
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -166.347784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.347784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.347784 (E_RNA)
where:
Base-Base interactions energy: -97.467
where: short stacking energy: -57.502
Base-Backbone interact. energy: -0.354
local terms energy: -68.526697
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -12.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -189.190227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.190227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.190227 (E_RNA)
where:
Base-Base interactions energy: -133.040
where: short stacking energy: -50.453
Base-Backbone interact. energy: -0.164
local terms energy: -55.985354
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -8.554
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -6.909
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: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -94.580894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.580894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.580894 (E_RNA)
where:
Base-Base interactions energy: -39.882
where: short stacking energy: -35.330
Base-Backbone interact. energy: -0.017
local terms energy: -54.681591
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -92.083350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.083350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.083350 (E_RNA)
where:
Base-Base interactions energy: -31.737
where: short stacking energy: -31.737
Base-Backbone interact. energy: -0.007
local terms energy: -60.339300
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -79.316071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.316071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.316071 (E_RNA)
where:
Base-Base interactions energy: -36.721
where: short stacking energy: -34.544
Base-Backbone interact. energy: 0.021
local terms energy: -42.615503
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -3.167
tors. eta vs tors. theta energy: -4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -241.640430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.640430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.640430 (E_RNA)
where:
Base-Base interactions energy: -160.411
where: short stacking energy: -69.778
Base-Backbone interact. energy: -0.381
local terms energy: -80.848728
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -220.474614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.474614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.474614 (E_RNA)
where:
Base-Base interactions energy: -142.967
where: short stacking energy: -61.519
Base-Backbone interact. energy: -0.040
local terms energy: -77.467110
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -213.130804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.130804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.130804 (E_RNA)
where:
Base-Base interactions energy: -146.608
where: short stacking energy: -61.461
Base-Backbone interact. energy: -0.276
local terms energy: -66.246544
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -5.457
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: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -195.773826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.773826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.773826 (E_RNA)
where:
Base-Base interactions energy: -122.512
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.989
local terms energy: -72.271990
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -16.995
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: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -179.255520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.255520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.255520 (E_RNA)
where:
Base-Base interactions energy: -113.140
where: short stacking energy: -54.595
Base-Backbone interact. energy: -0.016
local terms energy: -66.100280
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -191.523323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.523323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.523323 (E_RNA)
where:
Base-Base interactions energy: -120.315
where: short stacking energy: -53.798
Base-Backbone interact. energy: -1.384
local terms energy: -69.824804
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -170.941249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.941249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.941249 (E_RNA)
where:
Base-Base interactions energy: -106.161
where: short stacking energy: -48.717
Base-Backbone interact. energy: -0.038
local terms energy: -64.741987
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -14.967
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: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -92.152049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.152049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.152049 (E_RNA)
where:
Base-Base interactions energy: -33.525
where: short stacking energy: -26.372
Base-Backbone interact. energy: -0.296
local terms energy: -58.330436
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -82.945503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.945503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.945503 (E_RNA)
where:
Base-Base interactions energy: -32.910
where: short stacking energy: -31.148
Base-Backbone interact. energy: -0.142
local terms energy: -49.893781
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -81.155789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.155789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.155789 (E_RNA)
where:
Base-Base interactions energy: -28.643
where: short stacking energy: -26.738
Base-Backbone interact. energy: -0.203
local terms energy: -52.309288
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -233.860434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.860434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.860434 (E_RNA)
where:
Base-Base interactions energy: -154.944
where: short stacking energy: -70.367
Base-Backbone interact. energy: -0.153
local terms energy: -78.763053
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -203.373080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.373080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.373080 (E_RNA)
where:
Base-Base interactions energy: -135.241
where: short stacking energy: -58.566
Base-Backbone interact. energy: 0.053
local terms energy: -68.185444
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -215.250282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.250282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.250282 (E_RNA)
where:
Base-Base interactions energy: -139.273
where: short stacking energy: -69.704
Base-Backbone interact. energy: -0.744
local terms energy: -75.233488
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -201.474123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.474123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.474123 (E_RNA)
where:
Base-Base interactions energy: -126.983
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.337
local terms energy: -74.154416
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -17.407
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: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -190.303491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.303491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.303491 (E_RNA)
where:
Base-Base interactions energy: -116.776
where: short stacking energy: -56.543
Base-Backbone interact. energy: -0.185
local terms energy: -73.342620
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -174.596674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.596674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.596674 (E_RNA)
where:
Base-Base interactions energy: -112.113
where: short stacking energy: -56.940
Base-Backbone interact. energy: -0.057
local terms energy: -62.426889
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -155.377580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.377580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.377580 (E_RNA)
where:
Base-Base interactions energy: -91.585
where: short stacking energy: -54.568
Base-Backbone interact. energy: -0.004
local terms energy: -63.788786
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -6.645
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -10.555
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: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -88.698475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.698475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.698475 (E_RNA)
where:
Base-Base interactions energy: -37.108
where: short stacking energy: -27.460
Base-Backbone interact. energy: -0.344
local terms energy: -51.246960
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -9.550
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: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -97.371868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.371868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.371868 (E_RNA)
where:
Base-Base interactions energy: -34.730
where: short stacking energy: -34.730
Base-Backbone interact. energy: -0.010
local terms energy: -62.631457
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -9.327
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -85.659722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.659722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.659722 (E_RNA)
where:
Base-Base interactions energy: -27.206
where: short stacking energy: -26.020
Base-Backbone interact. energy: 0.435
local terms energy: -58.888607
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -5.239
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: 1, replica: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -200.266767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.266767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.266767 (E_RNA)
where:
Base-Base interactions energy: -136.230
where: short stacking energy: -59.884
Base-Backbone interact. energy: -0.199
local terms energy: -63.838465
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -221.532893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.532893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.532893 (E_RNA)
where:
Base-Base interactions energy: -140.227
where: short stacking energy: -64.194
Base-Backbone interact. energy: -0.185
local terms energy: -81.120861
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -20.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -211.913129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.913129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.913129 (E_RNA)
where:
Base-Base interactions energy: -139.616
where: short stacking energy: -63.552
Base-Backbone interact. energy: -0.433
local terms energy: -71.864575
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -197.834678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.834678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.834678 (E_RNA)
where:
Base-Base interactions energy: -127.474
where: short stacking energy: -64.149
Base-Backbone interact. energy: -0.250
local terms energy: -70.110428
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -184.001292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.001292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.001292 (E_RNA)
where:
Base-Base interactions energy: -108.792
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.096
local terms energy: -75.112936
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -168.703409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.703409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.703409 (E_RNA)
where:
Base-Base interactions energy: -110.744
where: short stacking energy: -57.367
Base-Backbone interact. energy: -0.180
local terms energy: -57.779103
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -0.937
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -108.947561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.947561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.947561 (E_RNA)
where:
Base-Base interactions energy: -47.884
where: short stacking energy: -29.879
Base-Backbone interact. energy: -0.391
local terms energy: -60.672635
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -108.997978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.997978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.997978 (E_RNA)
where:
Base-Base interactions energy: -47.652
where: short stacking energy: -47.652
Base-Backbone interact. energy: -0.996
local terms energy: -60.349560
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -91.748707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.748707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.748707 (E_RNA)
where:
Base-Base interactions energy: -33.917
where: short stacking energy: -29.862
Base-Backbone interact. energy: -0.195
local terms energy: -57.637199
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -2.246
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: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -94.180507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.180507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.180507 (E_RNA)
where:
Base-Base interactions energy: -50.344
where: short stacking energy: -28.231
Base-Backbone interact. energy: 0.139
local terms energy: -43.975589
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -1.684
tors. eta vs tors. theta energy: 1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -230.856593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.856593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.856593 (E_RNA)
where:
Base-Base interactions energy: -152.986
where: short stacking energy: -73.426
Base-Backbone interact. energy: -0.080
local terms energy: -77.790509
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -14.344
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: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -216.664297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.664297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.664297 (E_RNA)
where:
Base-Base interactions energy: -142.834
where: short stacking energy: -69.559
Base-Backbone interact. energy: -0.091
local terms energy: -73.739644
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -224.131081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.131081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.131081 (E_RNA)
where:
Base-Base interactions energy: -153.490
where: short stacking energy: -59.436
Base-Backbone interact. energy: -0.210
local terms energy: -70.430963
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -15.146
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: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -212.761497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.761497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.761497 (E_RNA)
where:
Base-Base interactions energy: -130.967
where: short stacking energy: -69.448
Base-Backbone interact. energy: -0.001
local terms energy: -81.793549
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -21.936
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: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -202.888037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.888037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.888037 (E_RNA)
where:
Base-Base interactions energy: -135.943
where: short stacking energy: -66.314
Base-Backbone interact. energy: -0.549
local terms energy: -66.395388
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -10.809
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: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -185.459547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.459547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.459547 (E_RNA)
where:
Base-Base interactions energy: -120.263
where: short stacking energy: -54.307
Base-Backbone interact. energy: -1.127
local terms energy: -64.069640
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -11.136
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: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -109.194982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.194982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.194982 (E_RNA)
where:
Base-Base interactions energy: -56.061
where: short stacking energy: -38.152
Base-Backbone interact. energy: -0.066
local terms energy: -53.067446
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -91.646232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.646232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.646232 (E_RNA)
where:
Base-Base interactions energy: -35.745
where: short stacking energy: -33.419
Base-Backbone interact. energy: 0.052
local terms energy: -55.952376
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -88.611904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.611904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.611904 (E_RNA)
where:
Base-Base interactions energy: -37.670
where: short stacking energy: -35.232
Base-Backbone interact. energy: -0.002
local terms energy: -50.940032
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -108.145960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.145960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.145960 (E_RNA)
where:
Base-Base interactions energy: -61.891
where: short stacking energy: -34.456
Base-Backbone interact. energy: 0.391
local terms energy: -46.645905
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -231.768955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.768955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.768955 (E_RNA)
where:
Base-Base interactions energy: -153.851
where: short stacking energy: -69.897
Base-Backbone interact. energy: -0.442
local terms energy: -77.475453
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -237.480466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.480466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.480466 (E_RNA)
where:
Base-Base interactions energy: -161.159
where: short stacking energy: -67.504
Base-Backbone interact. energy: -0.113
local terms energy: -76.209193
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -11.258
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -234.714742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.714742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.714742 (E_RNA)
where:
Base-Base interactions energy: -162.384
where: short stacking energy: -66.999
Base-Backbone interact. energy: -0.105
local terms energy: -72.225001
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -211.327997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.327997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.327997 (E_RNA)
where:
Base-Base interactions energy: -133.503
where: short stacking energy: -69.638
Base-Backbone interact. energy: -0.099
local terms energy: -77.726187
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -22.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -184.753060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.753060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.753060 (E_RNA)
where:
Base-Base interactions energy: -117.379
where: short stacking energy: -56.486
Base-Backbone interact. energy: -0.044
local terms energy: -67.330134
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -13.787
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: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -194.194206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.194206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.194206 (E_RNA)
where:
Base-Base interactions energy: -129.789
where: short stacking energy: -62.231
Base-Backbone interact. energy: -0.023
local terms energy: -64.382965
where:
bonds (distance) C4'-P energy: -7.073
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -12.817
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: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -101.973878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.973878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.973878 (E_RNA)
where:
Base-Base interactions energy: -36.544
where: short stacking energy: -29.042
Base-Backbone interact. energy: -0.153
local terms energy: -65.277656
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -113.944742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.944742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.944742 (E_RNA)
where:
Base-Base interactions energy: -51.767
where: short stacking energy: -44.061
Base-Backbone interact. energy: -0.027
local terms energy: -62.150866
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -11.174
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: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -81.488217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.488217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.488217 (E_RNA)
where:
Base-Base interactions energy: -35.526
where: short stacking energy: -28.388
Base-Backbone interact. energy: 0.764
local terms energy: -46.726025
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: 1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -81.670598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.670598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.670598 (E_RNA)
where:
Base-Base interactions energy: -28.624
where: short stacking energy: -27.340
Base-Backbone interact. energy: -0.045
local terms energy: -53.001145
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -228.159109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.159109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.159109 (E_RNA)
where:
Base-Base interactions energy: -151.938
where: short stacking energy: -71.703
Base-Backbone interact. energy: 0.223
local terms energy: -76.443789
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -14.499
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: 287
Temperature: 0.950000
Total energy: -238.789387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.789387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.789387 (E_RNA)
where:
Base-Base interactions energy: -163.245
where: short stacking energy: -67.544
Base-Backbone interact. energy: -1.014
local terms energy: -74.530095
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -16.673
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: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -213.507925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.507925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.507925 (E_RNA)
where:
Base-Base interactions energy: -142.772
where: short stacking energy: -58.534
Base-Backbone interact. energy: -0.874
local terms energy: -69.862041
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -208.845778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.845778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.845778 (E_RNA)
where:
Base-Base interactions energy: -135.125
where: short stacking energy: -66.380
Base-Backbone interact. energy: -0.951
local terms energy: -72.769626
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -195.050417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.050417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.050417 (E_RNA)
where:
Base-Base interactions energy: -126.792
where: short stacking energy: -63.417
Base-Backbone interact. energy: -0.127
local terms energy: -68.131276
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -11.731
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: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -188.966296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.966296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.966296 (E_RNA)
where:
Base-Base interactions energy: -122.652
where: short stacking energy: -48.583
Base-Backbone interact. energy: -0.321
local terms energy: -65.993364
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -8.067
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: 287
Temperature: 1.200000
Total energy: -95.529574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.529574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.529574 (E_RNA)
where:
Base-Base interactions energy: -39.071
where: short stacking energy: -31.220
Base-Backbone interact. energy: -0.146
local terms energy: -56.312527
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -6.150
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: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -83.715813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.715813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.715813 (E_RNA)
where:
Base-Base interactions energy: -37.425
where: short stacking energy: -31.387
Base-Backbone interact. energy: -0.661
local terms energy: -45.629924
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: 4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -90.672604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.672604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.672604 (E_RNA)
where:
Base-Base interactions energy: -43.545
where: short stacking energy: -43.545
Base-Backbone interact. energy: -1.064
local terms energy: -46.064096
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -92.264993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.264993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.264993 (E_RNA)
where:
Base-Base interactions energy: -38.026
where: short stacking energy: -38.026
Base-Backbone interact. energy: -0.121
local terms energy: -54.117272
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -10.058
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: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -240.841110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.841110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.841110 (E_RNA)
where:
Base-Base interactions energy: -166.457
where: short stacking energy: -70.277
Base-Backbone interact. energy: -0.588
local terms energy: -73.796983
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -218.032157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.032157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.032157 (E_RNA)
where:
Base-Base interactions energy: -145.074
where: short stacking energy: -75.977
Base-Backbone interact. energy: -0.399
local terms energy: -72.559326
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -10.801
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -209.920356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.920356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.920356 (E_RNA)
where:
Base-Base interactions energy: -139.670
where: short stacking energy: -58.787
Base-Backbone interact. energy: -0.057
local terms energy: -70.192550
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -207.836070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.836070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.836070 (E_RNA)
where:
Base-Base interactions energy: -136.461
where: short stacking energy: -48.463
Base-Backbone interact. energy: -1.373
local terms energy: -70.002239
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -12.607
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: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -188.332196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.332196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.332196 (E_RNA)
where:
Base-Base interactions energy: -118.799
where: short stacking energy: -47.650
Base-Backbone interact. energy: -0.601
local terms energy: -68.932778
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -12.213
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: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -177.257196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.257196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.257196 (E_RNA)
where:
Base-Base interactions energy: -123.061
where: short stacking energy: -61.484
Base-Backbone interact. energy: -0.017
local terms energy: -54.179607
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -8.184
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -98.417746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.417746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.417746 (E_RNA)
where:
Base-Base interactions energy: -42.418
where: short stacking energy: -36.711
Base-Backbone interact. energy: 1.170
local terms energy: -57.169212
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -89.068344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.068344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.068344 (E_RNA)
where:
Base-Base interactions energy: -43.428
where: short stacking energy: -33.707
Base-Backbone interact. energy: -0.098
local terms energy: -45.542876
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -0.286
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: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -83.909303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.909303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.909303 (E_RNA)
where:
Base-Base interactions energy: -34.807
where: short stacking energy: -33.070
Base-Backbone interact. energy: 0.129
local terms energy: -49.231750
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -89.792756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.792756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.792756 (E_RNA)
where:
Base-Base interactions energy: -40.352
where: short stacking energy: -38.206
Base-Backbone interact. energy: -0.118
local terms energy: -49.322858
where:
bonds (distance) C4'-P energy: -5.883
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -239.453573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.453573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.453573 (E_RNA)
where:
Base-Base interactions energy: -161.936
where: short stacking energy: -73.813
Base-Backbone interact. energy: -0.492
local terms energy: -77.024885
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -10.616
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: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -225.759807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.759807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.759807 (E_RNA)
where:
Base-Base interactions energy: -148.702
where: short stacking energy: -76.459
Base-Backbone interact. energy: -0.003
local terms energy: -77.054779
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -217.945712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.945712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.945712 (E_RNA)
where:
Base-Base interactions energy: -143.485
where: short stacking energy: -77.480
Base-Backbone interact. energy: 0.214
local terms energy: -74.674157
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -20.406
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: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -205.226977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.226977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.226977 (E_RNA)
where:
Base-Base interactions energy: -138.502
where: short stacking energy: -57.007
Base-Backbone interact. energy: -0.560
local terms energy: -66.165302
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -13.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -194.168633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.168633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.168633 (E_RNA)
where:
Base-Base interactions energy: -127.686
where: short stacking energy: -53.121
Base-Backbone interact. energy: -0.029
local terms energy: -66.453136
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -169.914757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.914757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.914757 (E_RNA)
where:
Base-Base interactions energy: -105.713
where: short stacking energy: -44.230
Base-Backbone interact. energy: 1.073
local terms energy: -65.274909
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -13.853
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: 289
Temperature: 1.200000
Total energy: -115.765182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.765182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.765182 (E_RNA)
where:
Base-Base interactions energy: -56.705
where: short stacking energy: -33.801
Base-Backbone interact. energy: -0.328
local terms energy: -58.733027
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -92.046135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.046135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.046135 (E_RNA)
where:
Base-Base interactions energy: -37.939
where: short stacking energy: -26.009
Base-Backbone interact. energy: -0.350
local terms energy: -53.757232
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -113.082897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.082897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.082897 (E_RNA)
where:
Base-Base interactions energy: -53.716
where: short stacking energy: -38.619
Base-Backbone interact. energy: -0.016
local terms energy: -59.350943
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -8.020
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: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -87.906419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.906419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.906419 (E_RNA)
where:
Base-Base interactions energy: -41.755
where: short stacking energy: -34.699
Base-Backbone interact. energy: 1.202
local terms energy: -47.353218
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -221.317244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.317244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.317244 (E_RNA)
where:
Base-Base interactions energy: -145.422
where: short stacking energy: -69.197
Base-Backbone interact. energy: -0.323
local terms energy: -75.572093
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -222.653990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.653990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.653990 (E_RNA)
where:
Base-Base interactions energy: -149.579
where: short stacking energy: -52.663
Base-Backbone interact. energy: -0.770
local terms energy: -72.305577
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -224.719810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.719810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.719810 (E_RNA)
where:
Base-Base interactions energy: -150.055
where: short stacking energy: -61.934
Base-Backbone interact. energy: -0.152
local terms energy: -74.512246
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -198.862466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.862466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.862466 (E_RNA)
where:
Base-Base interactions energy: -126.878
where: short stacking energy: -58.773
Base-Backbone interact. energy: -1.030
local terms energy: -70.954499
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -13.312
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: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -203.162511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.162511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.162511 (E_RNA)
where:
Base-Base interactions energy: -132.457
where: short stacking energy: -62.761
Base-Backbone interact. energy: -0.047
local terms energy: -70.658487
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -180.637215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.637215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.637215 (E_RNA)
where:
Base-Base interactions energy: -115.803
where: short stacking energy: -65.497
Base-Backbone interact. energy: -0.010
local terms energy: -64.824693
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.569
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: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -102.959679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.959679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.959679 (E_RNA)
where:
Base-Base interactions energy: -43.563
where: short stacking energy: -43.563
Base-Backbone interact. energy: 2.202
local terms energy: -61.598595
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -101.921435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.921435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.921435 (E_RNA)
where:
Base-Base interactions energy: -44.000
where: short stacking energy: -44.000
Base-Backbone interact. energy: -0.114
local terms energy: -57.808021
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -109.286849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.286849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.286849 (E_RNA)
where:
Base-Base interactions energy: -64.532
where: short stacking energy: -44.027
Base-Backbone interact. energy: -0.084
local terms energy: -44.671399
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -9.008
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -85.987174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.987174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.987174 (E_RNA)
where:
Base-Base interactions energy: -35.945
where: short stacking energy: -35.932
Base-Backbone interact. energy: -0.063
local terms energy: -49.978669
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -228.362517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.362517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.362517 (E_RNA)
where:
Base-Base interactions energy: -146.304
where: short stacking energy: -71.891
Base-Backbone interact. energy: -0.000
local terms energy: -82.058502
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -19.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -239.847548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.847548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.847548 (E_RNA)
where:
Base-Base interactions energy: -158.773
where: short stacking energy: -67.819
Base-Backbone interact. energy: -0.092
local terms energy: -80.982912
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -210.960178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.960178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.960178 (E_RNA)
where:
Base-Base interactions energy: -147.019
where: short stacking energy: -66.608
Base-Backbone interact. energy: -0.557
local terms energy: -63.384284
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -14.594
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: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -201.759684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.759684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.759684 (E_RNA)
where:
Base-Base interactions energy: -132.458
where: short stacking energy: -57.930
Base-Backbone interact. energy: -0.045
local terms energy: -69.256880
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -6.734
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: 291
Temperature: 1.100000
Total energy: -187.600939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.600939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.600939 (E_RNA)
where:
Base-Base interactions energy: -116.864
where: short stacking energy: -51.969
Base-Backbone interact. energy: -1.876
local terms energy: -68.860413
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -9.207
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -169.844103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.844103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.844103 (E_RNA)
where:
Base-Base interactions energy: -107.242
where: short stacking energy: -44.591
Base-Backbone interact. energy: -0.450
local terms energy: -62.152085
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -102.864451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.864451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.864451 (E_RNA)
where:
Base-Base interactions energy: -47.304
where: short stacking energy: -39.548
Base-Backbone interact. energy: -0.742
local terms energy: -54.818560
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -90.531395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.531395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.531395 (E_RNA)
where:
Base-Base interactions energy: -40.725
where: short stacking energy: -40.725
Base-Backbone interact. energy: 0.071
local terms energy: -49.877746
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -2.350
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: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -87.997757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.997757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.997757 (E_RNA)
where:
Base-Base interactions energy: -44.799
where: short stacking energy: -44.799
Base-Backbone interact. energy: -0.310
local terms energy: -42.888695
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -10.417
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -1.154
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: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -85.252698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.252698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.252698 (E_RNA)
where:
Base-Base interactions energy: -32.268
where: short stacking energy: -30.325
Base-Backbone interact. energy: 0.402
local terms energy: -53.387029
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -235.654929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.654929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.654929 (E_RNA)
where:
Base-Base interactions energy: -161.305
where: short stacking energy: -70.466
Base-Backbone interact. energy: -0.502
local terms energy: -73.848253
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -9.868
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: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -230.327294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.327294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.327294 (E_RNA)
where:
Base-Base interactions energy: -154.038
where: short stacking energy: -79.849
Base-Backbone interact. energy: -0.025
local terms energy: -76.264413
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -21.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -209.109057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.109057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.109057 (E_RNA)
where:
Base-Base interactions energy: -133.276
where: short stacking energy: -62.215
Base-Backbone interact. energy: -0.011
local terms energy: -75.821505
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -217.548812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.548812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.548812 (E_RNA)
where:
Base-Base interactions energy: -146.914
where: short stacking energy: -51.366
Base-Backbone interact. energy: -0.374
local terms energy: -70.260362
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -161.109029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.109029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.109029 (E_RNA)
where:
Base-Base interactions energy: -95.390
where: short stacking energy: -52.566
Base-Backbone interact. energy: -0.087
local terms energy: -65.632024
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -159.804233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.804233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.804233 (E_RNA)
where:
Base-Base interactions energy: -84.839
where: short stacking energy: -45.111
Base-Backbone interact. energy: -0.169
local terms energy: -74.796063
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -12.748
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: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -90.625244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.625244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.625244 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -37.522
Base-Backbone interact. energy: -0.080
local terms energy: -53.023376
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -7.643
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -100.557247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.557247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.557247 (E_RNA)
where:
Base-Base interactions energy: -42.248
where: short stacking energy: -42.248
Base-Backbone interact. energy: -0.150
local terms energy: -58.158972
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -6.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -87.668107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.668107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.668107 (E_RNA)
where:
Base-Base interactions energy: -39.237
where: short stacking energy: -31.912
Base-Backbone interact. energy: -0.347
local terms energy: -48.084425
where:
bonds (distance) C4'-P energy: -6.522
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -80.372661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.372661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.372661 (E_RNA)
where:
Base-Base interactions energy: -28.114
where: short stacking energy: -24.558
Base-Backbone interact. energy: 0.287
local terms energy: -52.545462
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -240.701206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.701206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.701206 (E_RNA)
where:
Base-Base interactions energy: -157.080
where: short stacking energy: -62.419
Base-Backbone interact. energy: -0.045
local terms energy: -83.575939
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -20.707
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: 293
Temperature: 0.950000
Total energy: -222.708778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.708778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.708778 (E_RNA)
where:
Base-Base interactions energy: -139.199
where: short stacking energy: -74.208
Base-Backbone interact. energy: -0.005
local terms energy: -83.504780
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -198.244745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.244745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.244745 (E_RNA)
where:
Base-Base interactions energy: -128.887
where: short stacking energy: -52.218
Base-Backbone interact. energy: -0.089
local terms energy: -69.269256
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -11.570
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: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -201.833651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.833651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.833651 (E_RNA)
where:
Base-Base interactions energy: -130.862
where: short stacking energy: -50.726
Base-Backbone interact. energy: 0.106
local terms energy: -71.077678
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -17.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -166.908863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.908863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.908863 (E_RNA)
where:
Base-Base interactions energy: -103.623
where: short stacking energy: -46.255
Base-Backbone interact. energy: -0.227
local terms energy: -63.058602
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -8.418
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: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -168.859884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.859884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.859884 (E_RNA)
where:
Base-Base interactions energy: -104.085
where: short stacking energy: -48.264
Base-Backbone interact. energy: -0.106
local terms energy: -64.668873
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -10.959
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: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -117.053720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.053720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.053720 (E_RNA)
where:
Base-Base interactions energy: -55.454
where: short stacking energy: -28.382
Base-Backbone interact. energy: -0.773
local terms energy: -60.826880
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -2.591
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: 293
Temperature: 1.250000
Total energy: -96.580095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.580095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.580095 (E_RNA)
where:
Base-Base interactions energy: -49.570
where: short stacking energy: -23.777
Base-Backbone interact. energy: -0.286
local terms energy: -46.723438
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: 5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -83.937246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.937246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.937246 (E_RNA)
where:
Base-Base interactions energy: -31.122
where: short stacking energy: -27.359
Base-Backbone interact. energy: -0.672
local terms energy: -52.142889
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -7.932
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -86.243154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.243154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.243154 (E_RNA)
where:
Base-Base interactions energy: -26.665
where: short stacking energy: -24.686
Base-Backbone interact. energy: -0.318
local terms energy: -59.259911
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -236.560733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.560733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.560733 (E_RNA)
where:
Base-Base interactions energy: -158.257
where: short stacking energy: -69.090
Base-Backbone interact. energy: -0.088
local terms energy: -78.215126
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -217.291118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.291118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.291118 (E_RNA)
where:
Base-Base interactions energy: -142.567
where: short stacking energy: -67.925
Base-Backbone interact. energy: -0.600
local terms energy: -74.123751
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -18.433
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: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -227.506225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.506225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.506225 (E_RNA)
where:
Base-Base interactions energy: -150.599
where: short stacking energy: -80.601
Base-Backbone interact. energy: -0.630
local terms energy: -76.277310
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -192.627029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.627029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.627029 (E_RNA)
where:
Base-Base interactions energy: -118.247
where: short stacking energy: -66.941
Base-Backbone interact. energy: -0.290
local terms energy: -74.089496
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -178.816078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.816078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.816078 (E_RNA)
where:
Base-Base interactions energy: -107.840
where: short stacking energy: -60.394
Base-Backbone interact. energy: -0.674
local terms energy: -70.302225
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -169.270231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.270231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.270231 (E_RNA)
where:
Base-Base interactions energy: -101.656
where: short stacking energy: -46.686
Base-Backbone interact. energy: 0.049
local terms energy: -67.664089
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -99.899258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.899258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.899258 (E_RNA)
where:
Base-Base interactions energy: -42.229
where: short stacking energy: -39.068
Base-Backbone interact. energy: -0.090
local terms energy: -57.579486
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -11.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -95.834967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.834967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.834967 (E_RNA)
where:
Base-Base interactions energy: -35.215
where: short stacking energy: -32.228
Base-Backbone interact. energy: -0.289
local terms energy: -60.330807
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -90.698982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.698982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.698982 (E_RNA)
where:
Base-Base interactions energy: -45.233
where: short stacking energy: -34.434
Base-Backbone interact. energy: -0.192
local terms energy: -45.274090
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: 1.343
tors. eta vs tors. theta energy: -2.054
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: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -80.708628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.708628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.708628 (E_RNA)
where:
Base-Base interactions energy: -34.700
where: short stacking energy: -31.102
Base-Backbone interact. energy: 0.190
local terms energy: -46.198961
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -2.708
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: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -233.526260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.526260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.526260 (E_RNA)
where:
Base-Base interactions energy: -154.790
where: short stacking energy: -57.708
Base-Backbone interact. energy: -0.847
local terms energy: -77.888485
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -246.976815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.976815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.976815 (E_RNA)
where:
Base-Base interactions energy: -159.834
where: short stacking energy: -75.220
Base-Backbone interact. energy: -0.798
local terms energy: -86.344732
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -25.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -212.671333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.671333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.671333 (E_RNA)
where:
Base-Base interactions energy: -135.556
where: short stacking energy: -60.657
Base-Backbone interact. energy: -0.017
local terms energy: -77.098343
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -187.773390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.773390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.773390 (E_RNA)
where:
Base-Base interactions energy: -123.359
where: short stacking energy: -54.361
Base-Backbone interact. energy: -0.172
local terms energy: -64.242176
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -11.115
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: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -189.715266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.715266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.715266 (E_RNA)
where:
Base-Base interactions energy: -130.096
where: short stacking energy: -59.348
Base-Backbone interact. energy: -0.626
local terms energy: -58.992995
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -7.934
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -160.176314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.176314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.176314 (E_RNA)
where:
Base-Base interactions energy: -96.690
where: short stacking energy: -48.149
Base-Backbone interact. energy: 0.393
local terms energy: -63.878785
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -101.691016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.691016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.691016 (E_RNA)
where:
Base-Base interactions energy: -41.777
where: short stacking energy: -23.793
Base-Backbone interact. energy: 0.450
local terms energy: -60.364319
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -8.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -105.787276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.787276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.787276 (E_RNA)
where:
Base-Base interactions energy: -49.073
where: short stacking energy: -41.932
Base-Backbone interact. energy: 1.294
local terms energy: -58.008617
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -3.646
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: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -88.522630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.522630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.522630 (E_RNA)
where:
Base-Base interactions energy: -37.858
where: short stacking energy: -33.927
Base-Backbone interact. energy: -0.074
local terms energy: -50.590163
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -87.856091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.856091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.856091 (E_RNA)
where:
Base-Base interactions energy: -31.462
where: short stacking energy: -30.925
Base-Backbone interact. energy: -0.365
local terms energy: -56.028778
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -250.581732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.581732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.581732 (E_RNA)
where:
Base-Base interactions energy: -170.743
where: short stacking energy: -76.713
Base-Backbone interact. energy: -0.003
local terms energy: -79.836179
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -21.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -227.576821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.576821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.576821 (E_RNA)
where:
Base-Base interactions energy: -158.113
where: short stacking energy: -63.630
Base-Backbone interact. energy: -1.706
local terms energy: -67.757779
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -226.028656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.028656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.028656 (E_RNA)
where:
Base-Base interactions energy: -146.069
where: short stacking energy: -74.054
Base-Backbone interact. energy: -0.003
local terms energy: -79.956499
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -176.841393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.841393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.841393 (E_RNA)
where:
Base-Base interactions energy: -115.492
where: short stacking energy: -57.009
Base-Backbone interact. energy: -0.607
local terms energy: -60.743004
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -183.174302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.174302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.174302 (E_RNA)
where:
Base-Base interactions energy: -115.161
where: short stacking energy: -56.539
Base-Backbone interact. energy: 1.292
local terms energy: -69.305273
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -165.950287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.950287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.950287 (E_RNA)
where:
Base-Base interactions energy: -101.164
where: short stacking energy: -61.064
Base-Backbone interact. energy: -0.069
local terms energy: -64.717629
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -95.803754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.803754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.803754 (E_RNA)
where:
Base-Base interactions energy: -38.986
where: short stacking energy: -36.527
Base-Backbone interact. energy: -0.054
local terms energy: -56.764376
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -103.624908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.624908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.624908 (E_RNA)
where:
Base-Base interactions energy: -50.040
where: short stacking energy: -27.228
Base-Backbone interact. energy: -0.385
local terms energy: -53.199806
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -6.361
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: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -87.380077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.380077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.380077 (E_RNA)
where:
Base-Base interactions energy: -26.994
where: short stacking energy: -27.094
Base-Backbone interact. energy: -0.180
local terms energy: -60.206758
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -79.773868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.773868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.773868 (E_RNA)
where:
Base-Base interactions energy: -28.255
where: short stacking energy: -24.565
Base-Backbone interact. energy: -0.118
local terms energy: -51.401165
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -5.822
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: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -242.076666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.076666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.076666 (E_RNA)
where:
Base-Base interactions energy: -156.387
where: short stacking energy: -73.169
Base-Backbone interact. energy: -0.177
local terms energy: -85.512798
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -216.036082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.036082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.036082 (E_RNA)
where:
Base-Base interactions energy: -137.025
where: short stacking energy: -69.802
Base-Backbone interact. energy: -0.003
local terms energy: -79.008334
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -12.646
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: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -215.611383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.611383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.611383 (E_RNA)
where:
Base-Base interactions energy: -142.725
where: short stacking energy: -64.107
Base-Backbone interact. energy: -0.066
local terms energy: -72.820050
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -11.297
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: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -213.116483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.116483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.116483 (E_RNA)
where:
Base-Base interactions energy: -140.785
where: short stacking energy: -66.868
Base-Backbone interact. energy: -0.290
local terms energy: -72.041592
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -18.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -173.343097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.343097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.343097 (E_RNA)
where:
Base-Base interactions energy: -106.399
where: short stacking energy: -52.843
Base-Backbone interact. energy: -0.213
local terms energy: -66.730496
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -166.021065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.021065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.021065 (E_RNA)
where:
Base-Base interactions energy: -97.187
where: short stacking energy: -58.281
Base-Backbone interact. energy: 0.608
local terms energy: -69.442146
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -105.023892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.023892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.023892 (E_RNA)
where:
Base-Base interactions energy: -51.079
where: short stacking energy: -34.690
Base-Backbone interact. energy: -0.757
local terms energy: -53.187018
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: 0.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -117.483052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.483052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.483052 (E_RNA)
where:
Base-Base interactions energy: -62.053
where: short stacking energy: -32.037
Base-Backbone interact. energy: -0.036
local terms energy: -55.394134
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -87.613449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.613449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.613449 (E_RNA)
where:
Base-Base interactions energy: -39.398
where: short stacking energy: -39.398
Base-Backbone interact. energy: 0.837
local terms energy: -49.052983
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -90.302414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.302414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.302414 (E_RNA)
where:
Base-Base interactions energy: -33.115
where: short stacking energy: -33.115
Base-Backbone interact. energy: -0.030
local terms energy: -57.157841
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -236.046127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.046127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.046127 (E_RNA)
where:
Base-Base interactions energy: -160.271
where: short stacking energy: -62.996
Base-Backbone interact. energy: -0.040
local terms energy: -75.735136
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -212.278143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.278143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.278143 (E_RNA)
where:
Base-Base interactions energy: -139.794
where: short stacking energy: -62.355
Base-Backbone interact. energy: -0.114
local terms energy: -72.370105
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -14.627
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: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -221.600336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.600336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.600336 (E_RNA)
where:
Base-Base interactions energy: -149.439
where: short stacking energy: -65.537
Base-Backbone interact. energy: -0.289
local terms energy: -71.872131
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -18.623
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: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -193.233218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.233218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.233218 (E_RNA)
where:
Base-Base interactions energy: -121.350
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.106
local terms energy: -71.777261
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -15.369
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: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -177.780664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.780664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.780664 (E_RNA)
where:
Base-Base interactions energy: -108.940
where: short stacking energy: -46.751
Base-Backbone interact. energy: -0.462
local terms energy: -68.378720
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -146.617662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.617662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.617662 (E_RNA)
where:
Base-Base interactions energy: -91.634
where: short stacking energy: -38.022
Base-Backbone interact. energy: 0.089
local terms energy: -55.072346
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -100.041032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.041032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.041032 (E_RNA)
where:
Base-Base interactions energy: -44.516
where: short stacking energy: -35.792
Base-Backbone interact. energy: -0.558
local terms energy: -54.966820
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -12.045
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: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -92.357222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.357222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.357222 (E_RNA)
where:
Base-Base interactions energy: -44.897
where: short stacking energy: -34.329
Base-Backbone interact. energy: 1.323
local terms energy: -48.783399
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -9.926
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: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -88.781855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.781855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.781855 (E_RNA)
where:
Base-Base interactions energy: -29.627
where: short stacking energy: -24.149
Base-Backbone interact. energy: -0.252
local terms energy: -58.902585
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -75.779852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.779852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.779852 (E_RNA)
where:
Base-Base interactions energy: -28.198
where: short stacking energy: -26.887
Base-Backbone interact. energy: -0.203
local terms energy: -47.378709
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -2.815
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -230.963189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.963189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.963189 (E_RNA)
where:
Base-Base interactions energy: -155.336
where: short stacking energy: -70.254
Base-Backbone interact. energy: -0.296
local terms energy: -75.331560
where:
bonds (distance) C4'-P energy: -7.669
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -24.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -220.831046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.831046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.831046 (E_RNA)
where:
Base-Base interactions energy: -143.761
where: short stacking energy: -72.988
Base-Backbone interact. energy: -0.559
local terms energy: -76.510404
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -211.019557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.019557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.019557 (E_RNA)
where:
Base-Base interactions energy: -126.789
where: short stacking energy: -71.265
Base-Backbone interact. energy: -0.687
local terms energy: -83.542804
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -13.360
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: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -212.560696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.560696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.560696 (E_RNA)
where:
Base-Base interactions energy: -142.339
where: short stacking energy: -75.385
Base-Backbone interact. energy: 0.529
local terms energy: -70.750213
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -173.617792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.617792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.617792 (E_RNA)
where:
Base-Base interactions energy: -105.650
where: short stacking energy: -45.974
Base-Backbone interact. energy: -0.366
local terms energy: -67.601097
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -154.534003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.534003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.534003 (E_RNA)
where:
Base-Base interactions energy: -84.388
where: short stacking energy: -47.412
Base-Backbone interact. energy: -0.200
local terms energy: -69.946189
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -15.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -105.000995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.000995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.000995 (E_RNA)
where:
Base-Base interactions energy: -48.617
where: short stacking energy: -45.463
Base-Backbone interact. energy: -0.079
local terms energy: -56.305846
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -105.810938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.810938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.810938 (E_RNA)
where:
Base-Base interactions energy: -53.170
where: short stacking energy: -41.830
Base-Backbone interact. energy: -0.163
local terms energy: -52.477980
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -6.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -92.014082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.014082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.014082 (E_RNA)
where:
Base-Base interactions energy: -37.947
where: short stacking energy: -30.040
Base-Backbone interact. energy: -0.112
local terms energy: -53.955153
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -98.011589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.011589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.011589 (E_RNA)
where:
Base-Base interactions energy: -44.845
where: short stacking energy: -13.960
Base-Backbone interact. energy: -0.596
local terms energy: -52.570791
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: 2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -232.829560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.829560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.829560 (E_RNA)
where:
Base-Base interactions energy: -152.951
where: short stacking energy: -69.489
Base-Backbone interact. energy: -0.001
local terms energy: -79.877719
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -21.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -241.596933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.596933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.596933 (E_RNA)
where:
Base-Base interactions energy: -165.107
where: short stacking energy: -74.999
Base-Backbone interact. energy: -0.101
local terms energy: -76.388852
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -19.599
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: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -218.861760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.861760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.861760 (E_RNA)
where:
Base-Base interactions energy: -139.725
where: short stacking energy: -66.767
Base-Backbone interact. energy: -0.873
local terms energy: -78.264070
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -188.010358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.010358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.010358 (E_RNA)
where:
Base-Base interactions energy: -110.658
where: short stacking energy: -60.372
Base-Backbone interact. energy: -1.362
local terms energy: -75.989837
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -16.476
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: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -184.386394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.386394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.386394 (E_RNA)
where:
Base-Base interactions energy: -112.610
where: short stacking energy: -54.677
Base-Backbone interact. energy: -2.183
local terms energy: -69.593083
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -11.947
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: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -162.192051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.192051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.192051 (E_RNA)
where:
Base-Base interactions energy: -92.022
where: short stacking energy: -49.416
Base-Backbone interact. energy: -0.160
local terms energy: -70.010198
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -111.698460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.698460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.698460 (E_RNA)
where:
Base-Base interactions energy: -45.012
where: short stacking energy: -45.012
Base-Backbone interact. energy: -0.144
local terms energy: -66.542695
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -10.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -106.566650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.566650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.566650 (E_RNA)
where:
Base-Base interactions energy: -41.250
where: short stacking energy: -40.227
Base-Backbone interact. energy: -0.182
local terms energy: -65.134620
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -12.854
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: 300
Temperature: 1.300000
Total energy: -107.327169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.327169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.327169 (E_RNA)
where:
Base-Base interactions energy: -56.166
where: short stacking energy: -23.219
Base-Backbone interact. energy: 1.799
local terms energy: -52.960671
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -10.513
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: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -88.927375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.927375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.927375 (E_RNA)
where:
Base-Base interactions energy: -41.683
where: short stacking energy: -28.609
Base-Backbone interact. energy: -0.113
local terms energy: -47.131325
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -6.040
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: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -234.752418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.752418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.752418 (E_RNA)
where:
Base-Base interactions energy: -164.209
where: short stacking energy: -66.649
Base-Backbone interact. energy: -0.090
local terms energy: -70.453209
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -234.660092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.660092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.660092 (E_RNA)
where:
Base-Base interactions energy: -161.263
where: short stacking energy: -67.143
Base-Backbone interact. energy: -0.863
local terms energy: -72.533872
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -209.824031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.824031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.824031 (E_RNA)
where:
Base-Base interactions energy: -137.126
where: short stacking energy: -70.395
Base-Backbone interact. energy: -0.011
local terms energy: -72.687574
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -12.032
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: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -193.110194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.110194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.110194 (E_RNA)
where:
Base-Base interactions energy: -115.806
where: short stacking energy: -60.466
Base-Backbone interact. energy: -0.574
local terms energy: -76.730997
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -13.653
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: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -188.769172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.769172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.769172 (E_RNA)
where:
Base-Base interactions energy: -112.740
where: short stacking energy: -53.584
Base-Backbone interact. energy: -0.015
local terms energy: -76.014157
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -12.145
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: 6, replica: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -182.698065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.698065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.698065 (E_RNA)
where:
Base-Base interactions energy: -116.363
where: short stacking energy: -65.849
Base-Backbone interact. energy: -0.023
local terms energy: -66.312483
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -99.628984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.628984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.628984 (E_RNA)
where:
Base-Base interactions energy: -47.953
where: short stacking energy: -43.281
Base-Backbone interact. energy: -0.628
local terms energy: -51.048050
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -11.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -100.510522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.510522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.510522 (E_RNA)
where:
Base-Base interactions energy: -42.209
where: short stacking energy: -37.952
Base-Backbone interact. energy: 0.183
local terms energy: -58.483803
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -85.295355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.295355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.295355 (E_RNA)
where:
Base-Base interactions energy: -35.935
where: short stacking energy: -35.533
Base-Backbone interact. energy: -0.165
local terms energy: -49.194667
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -89.149191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.149191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.149191 (E_RNA)
where:
Base-Base interactions energy: -36.313
where: short stacking energy: -36.313
Base-Backbone interact. energy: -0.089
local terms energy: -52.747492
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -238.588060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.588060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.588060 (E_RNA)
where:
Base-Base interactions energy: -167.430
where: short stacking energy: -74.045
Base-Backbone interact. energy: -0.445
local terms energy: -70.713779
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -17.871
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: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -241.501955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.501955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.501955 (E_RNA)
where:
Base-Base interactions energy: -173.690
where: short stacking energy: -75.175
Base-Backbone interact. energy: -0.811
local terms energy: -67.000918
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -18.952
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: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -205.945844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.945844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.945844 (E_RNA)
where:
Base-Base interactions energy: -134.635
where: short stacking energy: -73.514
Base-Backbone interact. energy: -0.240
local terms energy: -71.070788
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -185.035365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.035365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.035365 (E_RNA)
where:
Base-Base interactions energy: -115.463
where: short stacking energy: -60.651
Base-Backbone interact. energy: -0.676
local terms energy: -68.896466
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -13.657
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: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -166.276946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.276946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.276946 (E_RNA)
where:
Base-Base interactions energy: -104.754
where: short stacking energy: -51.864
Base-Backbone interact. energy: -0.076
local terms energy: -61.446845
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -6.262
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: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -188.227471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.227471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.227471 (E_RNA)
where:
Base-Base interactions energy: -123.918
where: short stacking energy: -53.077
Base-Backbone interact. energy: 0.377
local terms energy: -64.686223
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -8.175
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: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -112.208686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.208686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.208686 (E_RNA)
where:
Base-Base interactions energy: -45.728
where: short stacking energy: -41.182
Base-Backbone interact. energy: -0.125
local terms energy: -66.355453
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -9.932
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: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -96.820008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.820008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.820008 (E_RNA)
where:
Base-Base interactions energy: -40.067
where: short stacking energy: -38.425
Base-Backbone interact. energy: -0.042
local terms energy: -56.710989
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -9.503
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: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -114.526880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.526880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.526880 (E_RNA)
where:
Base-Base interactions energy: -57.415
where: short stacking energy: -32.797
Base-Backbone interact. energy: -0.100
local terms energy: -57.011360
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -10.775
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: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -82.047518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.047518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.047518 (E_RNA)
where:
Base-Base interactions energy: -24.362
where: short stacking energy: -19.712
Base-Backbone interact. energy: -0.127
local terms energy: -57.557837
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -4.924
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: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -244.314902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.314902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.314902 (E_RNA)
where:
Base-Base interactions energy: -165.600
where: short stacking energy: -68.514
Base-Backbone interact. energy: -0.583
local terms energy: -78.131679
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -20.617
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: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -244.478635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.478635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.478635 (E_RNA)
where:
Base-Base interactions energy: -165.969
where: short stacking energy: -70.648
Base-Backbone interact. energy: -0.827
local terms energy: -77.682491
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -21.409
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: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -206.920836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.920836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.920836 (E_RNA)
where:
Base-Base interactions energy: -135.548
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.078
local terms energy: -71.295261
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -14.594
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: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -200.237404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.237404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.237404 (E_RNA)
where:
Base-Base interactions energy: -127.564
where: short stacking energy: -56.263
Base-Backbone interact. energy: -0.007
local terms energy: -72.666774
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -198.110621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.110621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.110621 (E_RNA)
where:
Base-Base interactions energy: -124.779
where: short stacking energy: -64.890
Base-Backbone interact. energy: -0.059
local terms energy: -73.272685
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -19.932
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: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -203.406875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.406875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.406875 (E_RNA)
where:
Base-Base interactions energy: -133.306
where: short stacking energy: -70.953
Base-Backbone interact. energy: -0.138
local terms energy: -69.963113
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -107.555153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.555153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.555153 (E_RNA)
where:
Base-Base interactions energy: -57.892
where: short stacking energy: -40.404
Base-Backbone interact. energy: -0.018
local terms energy: -49.645465
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -7.779
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -10.314
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: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -97.912409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.912409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.912409 (E_RNA)
where:
Base-Base interactions energy: -46.494
where: short stacking energy: -42.841
Base-Backbone interact. energy: -0.106
local terms energy: -51.312827
where:
bonds (distance) C4'-P energy: -5.626
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -83.020511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.020511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.020511 (E_RNA)
where:
Base-Base interactions energy: -29.348
where: short stacking energy: -23.613
Base-Backbone interact. energy: -0.646
local terms energy: -53.026733
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -80.088341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.088341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.088341 (E_RNA)
where:
Base-Base interactions energy: -35.255
where: short stacking energy: -35.052
Base-Backbone interact. energy: -0.124
local terms energy: -44.709276
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -5.743
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: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -239.779224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.779224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.779224 (E_RNA)
where:
Base-Base interactions energy: -159.254
where: short stacking energy: -70.201
Base-Backbone interact. energy: -0.494
local terms energy: -80.030936
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -235.103308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.103308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.103308 (E_RNA)
where:
Base-Base interactions energy: -154.390
where: short stacking energy: -69.705
Base-Backbone interact. energy: -0.124
local terms energy: -80.589469
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -21.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -194.375810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.375810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.375810 (E_RNA)
where:
Base-Base interactions energy: -117.723
where: short stacking energy: -61.420
Base-Backbone interact. energy: -1.684
local terms energy: -74.968642
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -186.721882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.721882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.721882 (E_RNA)
where:
Base-Base interactions energy: -120.562
where: short stacking energy: -66.527
Base-Backbone interact. energy: -0.537
local terms energy: -65.622505
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -191.770542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.770542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.770542 (E_RNA)
where:
Base-Base interactions energy: -126.208
where: short stacking energy: -60.860
Base-Backbone interact. energy: -0.714
local terms energy: -64.847829
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -175.972600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.972600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.972600 (E_RNA)
where:
Base-Base interactions energy: -111.153
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.117
local terms energy: -64.702614
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -11.884
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: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -104.246008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.246008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.246008 (E_RNA)
where:
Base-Base interactions energy: -46.911
where: short stacking energy: -34.412
Base-Backbone interact. energy: -0.025
local terms energy: -57.309940
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -90.821745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.821745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.821745 (E_RNA)
where:
Base-Base interactions energy: -46.803
where: short stacking energy: -28.879
Base-Backbone interact. energy: -1.369
local terms energy: -42.649332
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: 3.616
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: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -92.263732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.263732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.263732 (E_RNA)
where:
Base-Base interactions energy: -37.349
where: short stacking energy: -37.332
Base-Backbone interact. energy: -0.107
local terms energy: -54.807427
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -76.019600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.019600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.019600 (E_RNA)
where:
Base-Base interactions energy: -27.873
where: short stacking energy: -27.873
Base-Backbone interact. energy: 0.397
local terms energy: -48.543461
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -246.571192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.571192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.571192 (E_RNA)
where:
Base-Base interactions energy: -164.308
where: short stacking energy: -63.920
Base-Backbone interact. energy: -0.422
local terms energy: -81.841038
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -238.946637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.946637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.946637 (E_RNA)
where:
Base-Base interactions energy: -159.932
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.099
local terms energy: -78.915504
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -21.490
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: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -196.083826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.083826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.083826 (E_RNA)
where:
Base-Base interactions energy: -122.056
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.334
local terms energy: -73.693311
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -13.071
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: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -216.789756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.789756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.789756 (E_RNA)
where:
Base-Base interactions energy: -141.938
where: short stacking energy: -73.184
Base-Backbone interact. energy: 0.406
local terms energy: -75.257743
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -194.577881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.577881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.577881 (E_RNA)
where:
Base-Base interactions energy: -122.578
where: short stacking energy: -61.379
Base-Backbone interact. energy: -0.794
local terms energy: -71.205872
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -175.641447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.641447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.641447 (E_RNA)
where:
Base-Base interactions energy: -112.148
where: short stacking energy: -58.285
Base-Backbone interact. energy: -0.091
local terms energy: -63.402327
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -12.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -98.433247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.433247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.433247 (E_RNA)
where:
Base-Base interactions energy: -36.318
where: short stacking energy: -35.001
Base-Backbone interact. energy: -0.102
local terms energy: -62.012380
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -7.686
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: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -98.895760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.895760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.895760 (E_RNA)
where:
Base-Base interactions energy: -44.721
where: short stacking energy: -23.647
Base-Backbone interact. energy: -0.187
local terms energy: -53.988211
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -87.019457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.019457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.019457 (E_RNA)
where:
Base-Base interactions energy: -28.191
where: short stacking energy: -26.023
Base-Backbone interact. energy: -0.232
local terms energy: -58.596242
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: 1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -86.644267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.644267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.644267 (E_RNA)
where:
Base-Base interactions energy: -27.594
where: short stacking energy: -27.594
Base-Backbone interact. energy: -0.003
local terms energy: -59.047536
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -6.017
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: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -239.193901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.193901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.193901 (E_RNA)
where:
Base-Base interactions energy: -157.037
where: short stacking energy: -66.730
Base-Backbone interact. energy: -1.378
local terms energy: -80.778822
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -230.240399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.240399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.240399 (E_RNA)
where:
Base-Base interactions energy: -149.204
where: short stacking energy: -64.906
Base-Backbone interact. energy: -0.429
local terms energy: -80.607589
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -18.202
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: 306
Temperature: 1.000000
Total energy: -206.347402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.347402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.347402 (E_RNA)
where:
Base-Base interactions energy: -139.259
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.007
local terms energy: -67.080782
where:
bonds (distance) C4'-P energy: -9.071
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -206.840361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.840361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.840361 (E_RNA)
where:
Base-Base interactions energy: -134.011
where: short stacking energy: -64.006
Base-Backbone interact. energy: -0.166
local terms energy: -72.662614
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -12.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -188.510355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.510355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.510355 (E_RNA)
where:
Base-Base interactions energy: -119.487
where: short stacking energy: -69.278
Base-Backbone interact. energy: -1.061
local terms energy: -67.962657
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -184.061021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.061021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.061021 (E_RNA)
where:
Base-Base interactions energy: -119.681
where: short stacking energy: -44.588
Base-Backbone interact. energy: 0.769
local terms energy: -65.148707
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -97.466921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.466921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.466921 (E_RNA)
where:
Base-Base interactions energy: -43.982
where: short stacking energy: -38.655
Base-Backbone interact. energy: -0.681
local terms energy: -52.803944
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -84.417831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.417831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.417831 (E_RNA)
where:
Base-Base interactions energy: -34.934
where: short stacking energy: -29.116
Base-Backbone interact. energy: -0.214
local terms energy: -49.269869
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -6.816
flat angles P-C4'-P energy: -8.424
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: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -92.306209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.306209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.306209 (E_RNA)
where:
Base-Base interactions energy: -34.740
where: short stacking energy: -30.732
Base-Backbone interact. energy: -0.248
local terms energy: -57.318552
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -9.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -82.635014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.635014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.635014 (E_RNA)
where:
Base-Base interactions energy: -37.525
where: short stacking energy: -28.092
Base-Backbone interact. energy: 0.887
local terms energy: -45.996650
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: 1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -236.827623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.827623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.827623 (E_RNA)
where:
Base-Base interactions energy: -162.567
where: short stacking energy: -61.457
Base-Backbone interact. energy: -0.111
local terms energy: -74.149465
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -243.531929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.531929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.531929 (E_RNA)
where:
Base-Base interactions energy: -163.810
where: short stacking energy: -71.500
Base-Backbone interact. energy: -0.140
local terms energy: -79.582240
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -213.523208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.523208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.523208 (E_RNA)
where:
Base-Base interactions energy: -137.640
where: short stacking energy: -75.795
Base-Backbone interact. energy: -0.561
local terms energy: -75.321804
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -21.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -199.756799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.756799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.756799 (E_RNA)
where:
Base-Base interactions energy: -132.448
where: short stacking energy: -52.840
Base-Backbone interact. energy: -0.994
local terms energy: -66.314837
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -192.439235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.439235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.439235 (E_RNA)
where:
Base-Base interactions energy: -116.883
where: short stacking energy: -60.101
Base-Backbone interact. energy: 0.013
local terms energy: -75.569278
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -170.702612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.702612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.702612 (E_RNA)
where:
Base-Base interactions energy: -111.020
where: short stacking energy: -49.200
Base-Backbone interact. energy: -0.142
local terms energy: -59.540760
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -9.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -85.527652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.527652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.527652 (E_RNA)
where:
Base-Base interactions energy: -30.450
where: short stacking energy: -29.861
Base-Backbone interact. energy: -0.393
local terms energy: -54.684072
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -89.955919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.955919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.955919 (E_RNA)
where:
Base-Base interactions energy: -40.084
where: short stacking energy: -23.997
Base-Backbone interact. energy: -0.818
local terms energy: -49.053742
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: 0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -91.103075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.103075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.103075 (E_RNA)
where:
Base-Base interactions energy: -42.755
where: short stacking energy: -42.755
Base-Backbone interact. energy: -0.010
local terms energy: -48.337892
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -7.549
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -79.693780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.693780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.693780 (E_RNA)
where:
Base-Base interactions energy: -29.769
where: short stacking energy: -27.977
Base-Backbone interact. energy: -0.225
local terms energy: -49.699934
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -4.968
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: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -239.870179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.870179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.870179 (E_RNA)
where:
Base-Base interactions energy: -161.330
where: short stacking energy: -66.500
Base-Backbone interact. energy: -0.693
local terms energy: -77.846696
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -13.459
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: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -237.938528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.938528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.938528 (E_RNA)
where:
Base-Base interactions energy: -161.935
where: short stacking energy: -66.488
Base-Backbone interact. energy: -0.580
local terms energy: -75.424327
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -8.367
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: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -212.715484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.715484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.715484 (E_RNA)
where:
Base-Base interactions energy: -135.528
where: short stacking energy: -69.326
Base-Backbone interact. energy: -0.248
local terms energy: -76.939599
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -202.017348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.017348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.017348 (E_RNA)
where:
Base-Base interactions energy: -130.737
where: short stacking energy: -53.169
Base-Backbone interact. energy: -0.383
local terms energy: -70.896667
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -177.988136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.988136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.988136 (E_RNA)
where:
Base-Base interactions energy: -105.797
where: short stacking energy: -49.515
Base-Backbone interact. energy: -0.150
local terms energy: -72.040985
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -187.675039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.675039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.675039 (E_RNA)
where:
Base-Base interactions energy: -122.938
where: short stacking energy: -53.457
Base-Backbone interact. energy: -0.084
local terms energy: -64.652926
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -98.402820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.402820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.402820 (E_RNA)
where:
Base-Base interactions energy: -46.117
where: short stacking energy: -27.908
Base-Backbone interact. energy: -0.462
local terms energy: -51.823824
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -91.821238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.821238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.821238 (E_RNA)
where:
Base-Base interactions energy: -39.421
where: short stacking energy: -36.691
Base-Backbone interact. energy: -0.361
local terms energy: -52.038611
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -0.802
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: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -78.024106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.024106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.024106 (E_RNA)
where:
Base-Base interactions energy: -29.582
where: short stacking energy: -27.647
Base-Backbone interact. energy: 0.975
local terms energy: -49.417866
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -83.682927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.682927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.682927 (E_RNA)
where:
Base-Base interactions energy: -29.839
where: short stacking energy: -28.298
Base-Backbone interact. energy: 0.892
local terms energy: -54.735183
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -250.036648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.036648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.036648 (E_RNA)
where:
Base-Base interactions energy: -167.625
where: short stacking energy: -73.482
Base-Backbone interact. energy: -0.273
local terms energy: -82.138557
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -219.000334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.000334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.000334 (E_RNA)
where:
Base-Base interactions energy: -144.487
where: short stacking energy: -62.710
Base-Backbone interact. energy: -0.146
local terms energy: -74.366521
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -219.626315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.626315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.626315 (E_RNA)
where:
Base-Base interactions energy: -146.003
where: short stacking energy: -73.269
Base-Backbone interact. energy: 0.090
local terms energy: -73.713279
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -206.817154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.817154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.817154 (E_RNA)
where:
Base-Base interactions energy: -140.626
where: short stacking energy: -60.245
Base-Backbone interact. energy: -1.595
local terms energy: -64.596264
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -221.426412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.426412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.426412 (E_RNA)
where:
Base-Base interactions energy: -150.076
where: short stacking energy: -65.512
Base-Backbone interact. energy: -0.190
local terms energy: -71.159660
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -15.135
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: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -184.609832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.609832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.609832 (E_RNA)
where:
Base-Base interactions energy: -120.877
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.421
local terms energy: -63.312681
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -9.544
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -97.052923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.052923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.052923 (E_RNA)
where:
Base-Base interactions energy: -35.806
where: short stacking energy: -33.197
Base-Backbone interact. energy: -0.037
local terms energy: -61.210719
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -7.108
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: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -97.581078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.581078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.581078 (E_RNA)
where:
Base-Base interactions energy: -45.076
where: short stacking energy: -40.277
Base-Backbone interact. energy: -0.049
local terms energy: -52.456075
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -78.852198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.852198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.852198 (E_RNA)
where:
Base-Base interactions energy: -28.629
where: short stacking energy: -28.541
Base-Backbone interact. energy: -0.252
local terms energy: -49.970799
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -3.274
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: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -75.850164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.850164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.850164 (E_RNA)
where:
Base-Base interactions energy: -24.516
where: short stacking energy: -24.516
Base-Backbone interact. energy: -0.010
local terms energy: -51.323905
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -244.511584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.511584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.511584 (E_RNA)
where:
Base-Base interactions energy: -160.960
where: short stacking energy: -64.109
Base-Backbone interact. energy: -0.754
local terms energy: -82.797999
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -213.679997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.679997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.679997 (E_RNA)
where:
Base-Base interactions energy: -139.319
where: short stacking energy: -61.542
Base-Backbone interact. energy: -0.170
local terms energy: -74.190842
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -13.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -212.581339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.581339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.581339 (E_RNA)
where:
Base-Base interactions energy: -138.226
where: short stacking energy: -69.981
Base-Backbone interact. energy: -0.069
local terms energy: -74.286053
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -202.061784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.061784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.061784 (E_RNA)
where:
Base-Base interactions energy: -135.278
where: short stacking energy: -60.408
Base-Backbone interact. energy: 0.366
local terms energy: -67.150019
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -19.790
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: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -202.263363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.263363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.263363 (E_RNA)
where:
Base-Base interactions energy: -126.819
where: short stacking energy: -65.135
Base-Backbone interact. energy: -0.005
local terms energy: -75.439059
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -18.202
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: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -196.733519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.733519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.733519 (E_RNA)
where:
Base-Base interactions energy: -128.545
where: short stacking energy: -56.133
Base-Backbone interact. energy: -0.036
local terms energy: -68.152690
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -13.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -149.069579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.069579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.069579 (E_RNA)
where:
Base-Base interactions energy: -88.041
where: short stacking energy: -37.500
Base-Backbone interact. energy: -0.285
local terms energy: -60.744175
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -90.975301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.975301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.975301 (E_RNA)
where:
Base-Base interactions energy: -41.429
where: short stacking energy: -41.429
Base-Backbone interact. energy: 0.239
local terms energy: -49.785618
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -94.246907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.246907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.246907 (E_RNA)
where:
Base-Base interactions energy: -31.906
where: short stacking energy: -30.103
Base-Backbone interact. energy: -0.117
local terms energy: -62.224329
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -81.644226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.644226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.644226 (E_RNA)
where:
Base-Base interactions energy: -29.317
where: short stacking energy: -29.317
Base-Backbone interact. energy: -0.018
local terms energy: -52.309639
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -4.912
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: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -241.243565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.243565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.243565 (E_RNA)
where:
Base-Base interactions energy: -156.262
where: short stacking energy: -66.703
Base-Backbone interact. energy: -0.180
local terms energy: -84.801631
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -22.077
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: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -218.588053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.588053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.588053 (E_RNA)
where:
Base-Base interactions energy: -138.218
where: short stacking energy: -70.322
Base-Backbone interact. energy: -0.001
local terms energy: -80.369370
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -200.583206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.583206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.583206 (E_RNA)
where:
Base-Base interactions energy: -135.747
where: short stacking energy: -56.231
Base-Backbone interact. energy: -0.057
local terms energy: -64.779816
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -12.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -216.891565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.891565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.891565 (E_RNA)
where:
Base-Base interactions energy: -141.359
where: short stacking energy: -71.572
Base-Backbone interact. energy: -0.002
local terms energy: -75.530650
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -17.745
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: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -209.306980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.306980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.306980 (E_RNA)
where:
Base-Base interactions energy: -140.187
where: short stacking energy: -64.880
Base-Backbone interact. energy: -0.143
local terms energy: -68.976741
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -173.773169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.773169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.773169 (E_RNA)
where:
Base-Base interactions energy: -106.036
where: short stacking energy: -54.769
Base-Backbone interact. energy: 1.100
local terms energy: -68.836324
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -156.280010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.280010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.280010 (E_RNA)
where:
Base-Base interactions energy: -104.678
where: short stacking energy: -41.380
Base-Backbone interact. energy: 0.595
local terms energy: -52.196641
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -90.386592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386592 (E_RNA)
where:
Base-Base interactions energy: -36.347
where: short stacking energy: -34.795
Base-Backbone interact. energy: -0.055
local terms energy: -53.984632
where:
bonds (distance) C4'-P energy: -7.047
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -5.553
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: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -96.764064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.764064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.764064 (E_RNA)
where:
Base-Base interactions energy: -39.736
where: short stacking energy: -38.539
Base-Backbone interact. energy: -0.123
local terms energy: -56.905158
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -74.395035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.395035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.395035 (E_RNA)
where:
Base-Base interactions energy: -31.692
where: short stacking energy: -31.692
Base-Backbone interact. energy: -0.283
local terms energy: -42.419663
where:
bonds (distance) C4'-P energy: -8.665
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -7.489
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -223.601023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.601023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.601023 (E_RNA)
where:
Base-Base interactions energy: -143.868
where: short stacking energy: -75.926
Base-Backbone interact. energy: -0.312
local terms energy: -79.421175
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -19.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -239.150765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.150765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.150765 (E_RNA)
where:
Base-Base interactions energy: -159.715
where: short stacking energy: -70.112
Base-Backbone interact. energy: -0.822
local terms energy: -78.613262
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -13.712
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: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -219.446307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.446307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.446307 (E_RNA)
where:
Base-Base interactions energy: -149.030
where: short stacking energy: -66.366
Base-Backbone interact. energy: -0.093
local terms energy: -70.324013
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -193.362339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.362339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.362339 (E_RNA)
where:
Base-Base interactions energy: -123.803
where: short stacking energy: -62.765
Base-Backbone interact. energy: -0.076
local terms energy: -69.483876
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -183.713733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.713733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.713733 (E_RNA)
where:
Base-Base interactions energy: -127.968
where: short stacking energy: -58.144
Base-Backbone interact. energy: 3.004
local terms energy: -58.749157
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -9.532
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -168.266761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.266761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.266761 (E_RNA)
where:
Base-Base interactions energy: -108.780
where: short stacking energy: -53.930
Base-Backbone interact. energy: -0.400
local terms energy: -59.086972
where:
bonds (distance) C4'-P energy: -7.009
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -14.086
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: 7
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -146.182327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.182327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.182327 (E_RNA)
where:
Base-Base interactions energy: -96.756
where: short stacking energy: -47.983
Base-Backbone interact. energy: -0.523
local terms energy: -48.903283
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -3.946
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -85.381210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.381210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.381210 (E_RNA)
where:
Base-Base interactions energy: -29.350
where: short stacking energy: -23.877
Base-Backbone interact. energy: -0.218
local terms energy: -55.813896
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -9.082
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: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -87.604002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.604002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.604002 (E_RNA)
where:
Base-Base interactions energy: -32.146
where: short stacking energy: -28.858
Base-Backbone interact. energy: -0.897
local terms energy: -54.561182
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -88.297902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.297902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.297902 (E_RNA)
where:
Base-Base interactions energy: -38.409
where: short stacking energy: -24.850
Base-Backbone interact. energy: -0.346
local terms energy: -49.542910
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -220.908018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.908018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.908018 (E_RNA)
where:
Base-Base interactions energy: -139.996
where: short stacking energy: -69.490
Base-Backbone interact. energy: -0.102
local terms energy: -80.809997
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -221.158459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.158459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.158459 (E_RNA)
where:
Base-Base interactions energy: -152.089
where: short stacking energy: -53.520
Base-Backbone interact. energy: -0.179
local terms energy: -68.890909
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -10.430
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: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -209.684820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.684820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.684820 (E_RNA)
where:
Base-Base interactions energy: -135.384
where: short stacking energy: -65.022
Base-Backbone interact. energy: -0.142
local terms energy: -74.159027
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -16.811
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: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -176.964257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.964257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.964257 (E_RNA)
where:
Base-Base interactions energy: -106.204
where: short stacking energy: -43.791
Base-Backbone interact. energy: -0.348
local terms energy: -70.411611
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -11.946
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: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -190.414391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.414391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.414391 (E_RNA)
where:
Base-Base interactions energy: -128.285
where: short stacking energy: -59.309
Base-Backbone interact. energy: -1.073
local terms energy: -61.057235
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -8.460
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: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -174.371217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.371217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.371217 (E_RNA)
where:
Base-Base interactions energy: -109.218
where: short stacking energy: -51.289
Base-Backbone interact. energy: 0.102
local terms energy: -65.255317
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -13.602
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: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -158.506292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.506292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.506292 (E_RNA)
where:
Base-Base interactions energy: -95.939
where: short stacking energy: -51.153
Base-Backbone interact. energy: -0.521
local terms energy: -62.046305
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -95.154229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.154229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.154229 (E_RNA)
where:
Base-Base interactions energy: -35.096
where: short stacking energy: -32.996
Base-Backbone interact. energy: 0.061
local terms energy: -60.119284
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -86.084254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.084254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.084254 (E_RNA)
where:
Base-Base interactions energy: -40.334
where: short stacking energy: -29.103
Base-Backbone interact. energy: -0.314
local terms energy: -45.436045
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: 0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -107.670263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.670263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.670263 (E_RNA)
where:
Base-Base interactions energy: -63.212
where: short stacking energy: -37.792
Base-Backbone interact. energy: -0.280
local terms energy: -44.178075
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -0.169
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -230.164611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.164611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.164611 (E_RNA)
where:
Base-Base interactions energy: -148.881
where: short stacking energy: -70.240
Base-Backbone interact. energy: -1.193
local terms energy: -80.091233
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -22.824
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: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -219.045849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.045849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.045849 (E_RNA)
where:
Base-Base interactions energy: -145.717
where: short stacking energy: -64.164
Base-Backbone interact. energy: -0.718
local terms energy: -72.610733
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -210.826040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.826040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.826040 (E_RNA)
where:
Base-Base interactions energy: -133.964
where: short stacking energy: -70.186
Base-Backbone interact. energy: -0.142
local terms energy: -76.720405
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -20.751
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: 314
Temperature: 1.050000
Total energy: -204.427841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.427841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.427841 (E_RNA)
where:
Base-Base interactions energy: -129.142
where: short stacking energy: -72.266
Base-Backbone interact. energy: -0.124
local terms energy: -75.161395
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -19.002
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: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -163.831664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.831664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.831664 (E_RNA)
where:
Base-Base interactions energy: -94.300
where: short stacking energy: -59.176
Base-Backbone interact. energy: -0.007
local terms energy: -69.524707
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -182.983022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.983022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.983022 (E_RNA)
where:
Base-Base interactions energy: -124.938
where: short stacking energy: -50.007
Base-Backbone interact. energy: -0.010
local terms energy: -58.034882
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -11.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -155.738813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.738813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.738813 (E_RNA)
where:
Base-Base interactions energy: -87.713
where: short stacking energy: -57.080
Base-Backbone interact. energy: -0.029
local terms energy: -67.996903
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -15.831
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: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -98.917796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.917796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.917796 (E_RNA)
where:
Base-Base interactions energy: -40.364
where: short stacking energy: -38.946
Base-Backbone interact. energy: -0.006
local terms energy: -58.547704
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -83.376382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.376382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.376382 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -26.906
Base-Backbone interact. energy: -0.159
local terms energy: -52.458834
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -93.835006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.835006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.835006 (E_RNA)
where:
Base-Base interactions energy: -38.578
where: short stacking energy: -36.190
Base-Backbone interact. energy: -0.084
local terms energy: -55.173319
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -9.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -231.992577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.992577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.992577 (E_RNA)
where:
Base-Base interactions energy: -155.681
where: short stacking energy: -70.111
Base-Backbone interact. energy: -0.130
local terms energy: -76.181704
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -8.470
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: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -224.451446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.451446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.451446 (E_RNA)
where:
Base-Base interactions energy: -153.575
where: short stacking energy: -78.219
Base-Backbone interact. energy: -0.051
local terms energy: -70.825999
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -9.484
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -198.330716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.330716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.330716 (E_RNA)
where:
Base-Base interactions energy: -128.466
where: short stacking energy: -55.772
Base-Backbone interact. energy: -0.115
local terms energy: -69.749071
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -14.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -185.287471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.287471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.287471 (E_RNA)
where:
Base-Base interactions energy: -124.014
where: short stacking energy: -56.504
Base-Backbone interact. energy: -0.116
local terms energy: -61.157480
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -12.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -183.325637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.325637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.325637 (E_RNA)
where:
Base-Base interactions energy: -115.157
where: short stacking energy: -52.628
Base-Backbone interact. energy: -1.062
local terms energy: -67.106352
where:
bonds (distance) C4'-P energy: -8.963
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -12.949
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: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -177.782531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.782531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.782531 (E_RNA)
where:
Base-Base interactions energy: -115.155
where: short stacking energy: -48.802
Base-Backbone interact. energy: -0.660
local terms energy: -61.966763
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -9.883
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: 7, replica: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -182.017988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.017988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.017988 (E_RNA)
where:
Base-Base interactions energy: -116.106
where: short stacking energy: -57.948
Base-Backbone interact. energy: -1.327
local terms energy: -64.584629
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -13.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -103.188230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.188230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.188230 (E_RNA)
where:
Base-Base interactions energy: -42.824
where: short stacking energy: -36.248
Base-Backbone interact. energy: -0.110
local terms energy: -60.254381
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -8.289
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: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -85.357725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.357725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.357725 (E_RNA)
where:
Base-Base interactions energy: -35.116
where: short stacking energy: -32.252
Base-Backbone interact. energy: -0.137
local terms energy: -50.104982
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -91.479022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.479022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.479022 (E_RNA)
where:
Base-Base interactions energy: -35.317
where: short stacking energy: -31.674
Base-Backbone interact. energy: -0.175
local terms energy: -55.986853
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -6.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -228.949925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.949925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.949925 (E_RNA)
where:
Base-Base interactions energy: -148.775
where: short stacking energy: -79.813
Base-Backbone interact. energy: -0.276
local terms energy: -79.899231
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -228.100416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.100416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.100416 (E_RNA)
where:
Base-Base interactions energy: -148.250
where: short stacking energy: -82.184
Base-Backbone interact. energy: -1.057
local terms energy: -78.794157
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -23.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -200.373741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.373741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.373741 (E_RNA)
where:
Base-Base interactions energy: -142.040
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.153
local terms energy: -58.180886
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -8.384
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -11.570
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: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -194.605969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.605969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.605969 (E_RNA)
where:
Base-Base interactions energy: -122.157
where: short stacking energy: -73.762
Base-Backbone interact. energy: -0.014
local terms energy: -72.434754
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -20.467
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: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -212.027022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.027022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.027022 (E_RNA)
where:
Base-Base interactions energy: -144.655
where: short stacking energy: -55.947
Base-Backbone interact. energy: -0.151
local terms energy: -67.221221
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -172.334984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.334984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.334984 (E_RNA)
where:
Base-Base interactions energy: -114.490
where: short stacking energy: -46.639
Base-Backbone interact. energy: 0.040
local terms energy: -57.884915
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -173.981733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.981733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.981733 (E_RNA)
where:
Base-Base interactions energy: -116.366
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.035
local terms energy: -57.580674
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -104.129942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.129942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.129942 (E_RNA)
where:
Base-Base interactions energy: -49.065
where: short stacking energy: -44.549
Base-Backbone interact. energy: -0.101
local terms energy: -54.964640
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -87.962804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.962804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.962804 (E_RNA)
where:
Base-Base interactions energy: -29.301
where: short stacking energy: -29.226
Base-Backbone interact. energy: -0.076
local terms energy: -58.585160
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -87.682552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.682552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.682552 (E_RNA)
where:
Base-Base interactions energy: -36.206
where: short stacking energy: -31.819
Base-Backbone interact. energy: -0.135
local terms energy: -51.342240
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -230.644947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.644947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.644947 (E_RNA)
where:
Base-Base interactions energy: -146.612
where: short stacking energy: -76.804
Base-Backbone interact. energy: -0.037
local terms energy: -83.996111
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -213.739513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.739513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.739513 (E_RNA)
where:
Base-Base interactions energy: -135.012
where: short stacking energy: -55.231
Base-Backbone interact. energy: -0.140
local terms energy: -78.587346
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -220.495682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.495682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.495682 (E_RNA)
where:
Base-Base interactions energy: -136.605
where: short stacking energy: -70.544
Base-Backbone interact. energy: -0.874
local terms energy: -83.016149
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -208.732653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.732653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.732653 (E_RNA)
where:
Base-Base interactions energy: -143.344
where: short stacking energy: -59.828
Base-Backbone interact. energy: -0.195
local terms energy: -65.193897
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -7.653
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: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -180.595849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.595849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.595849 (E_RNA)
where:
Base-Base interactions energy: -112.760
where: short stacking energy: -53.455
Base-Backbone interact. energy: -0.106
local terms energy: -67.729177
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -169.777616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.777616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.777616 (E_RNA)
where:
Base-Base interactions energy: -107.217
where: short stacking energy: -55.042
Base-Backbone interact. energy: -0.051
local terms energy: -62.509110
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -167.268136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.268136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.268136 (E_RNA)
where:
Base-Base interactions energy: -105.604
where: short stacking energy: -43.556
Base-Backbone interact. energy: -0.618
local terms energy: -61.045796
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -86.240077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.240077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.240077 (E_RNA)
where:
Base-Base interactions energy: -32.106
where: short stacking energy: -31.106
Base-Backbone interact. energy: -0.225
local terms energy: -53.909395
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -87.382549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.382549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.382549 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -28.700
Base-Backbone interact. energy: -1.264
local terms energy: -52.705026
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -3.390
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -84.778516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.778516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.778516 (E_RNA)
where:
Base-Base interactions energy: -30.358
where: short stacking energy: -30.068
Base-Backbone interact. energy: -1.130
local terms energy: -53.290849
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -241.753552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.753552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.753552 (E_RNA)
where:
Base-Base interactions energy: -162.481
where: short stacking energy: -67.062
Base-Backbone interact. energy: -0.479
local terms energy: -78.793407
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -226.556620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.556620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.556620 (E_RNA)
where:
Base-Base interactions energy: -147.788
where: short stacking energy: -84.243
Base-Backbone interact. energy: -0.003
local terms energy: -78.766317
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -21.302
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: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -220.099134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.099134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.099134 (E_RNA)
where:
Base-Base interactions energy: -146.639
where: short stacking energy: -81.767
Base-Backbone interact. energy: -0.060
local terms energy: -73.399550
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -19.596
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: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -214.214854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.214854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.214854 (E_RNA)
where:
Base-Base interactions energy: -140.574
where: short stacking energy: -64.461
Base-Backbone interact. energy: -0.105
local terms energy: -73.535743
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -191.635726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.635726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.635726 (E_RNA)
where:
Base-Base interactions energy: -117.261
where: short stacking energy: -65.248
Base-Backbone interact. energy: -0.054
local terms energy: -74.321465
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -182.271489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.271489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.271489 (E_RNA)
where:
Base-Base interactions energy: -117.695
where: short stacking energy: -50.832
Base-Backbone interact. energy: 0.059
local terms energy: -64.635717
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -13.632
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: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -166.790266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.790266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.790266 (E_RNA)
where:
Base-Base interactions energy: -107.393
where: short stacking energy: -49.154
Base-Backbone interact. energy: -1.407
local terms energy: -57.990920
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -9.290
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -12.029
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: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -98.626390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.626390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.626390 (E_RNA)
where:
Base-Base interactions energy: -42.150
where: short stacking energy: -35.004
Base-Backbone interact. energy: -0.095
local terms energy: -56.381624
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -81.570659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.570659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.570659 (E_RNA)
where:
Base-Base interactions energy: -36.554
where: short stacking energy: -33.149
Base-Backbone interact. energy: -0.192
local terms energy: -44.824940
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -3.129
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -84.274930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.274930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.274930 (E_RNA)
where:
Base-Base interactions energy: -44.095
where: short stacking energy: -32.569
Base-Backbone interact. energy: -0.135
local terms energy: -40.044973
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -6.396
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -238.294490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.294490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.294490 (E_RNA)
where:
Base-Base interactions energy: -162.932
where: short stacking energy: -76.360
Base-Backbone interact. energy: -0.201
local terms energy: -75.161188
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -226.219213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.219213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.219213 (E_RNA)
where:
Base-Base interactions energy: -144.505
where: short stacking energy: -73.234
Base-Backbone interact. energy: -0.169
local terms energy: -81.544551
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -18.902
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: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -210.245892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.245892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.245892 (E_RNA)
where:
Base-Base interactions energy: -139.756
where: short stacking energy: -68.996
Base-Backbone interact. energy: 3.217
local terms energy: -73.706902
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -195.384010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.384010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.384010 (E_RNA)
where:
Base-Base interactions energy: -128.717
where: short stacking energy: -63.251
Base-Backbone interact. energy: -0.001
local terms energy: -66.666362
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -19.868
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: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -209.616177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.616177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.616177 (E_RNA)
where:
Base-Base interactions energy: -135.173
where: short stacking energy: -69.431
Base-Backbone interact. energy: 0.190
local terms energy: -74.633384
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -173.438055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.438055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.438055 (E_RNA)
where:
Base-Base interactions energy: -110.874
where: short stacking energy: -46.282
Base-Backbone interact. energy: -0.657
local terms energy: -61.907389
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -180.291346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.291346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.291346 (E_RNA)
where:
Base-Base interactions energy: -117.550
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.089
local terms energy: -62.652763
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -8.987
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -108.714953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.714953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.714953 (E_RNA)
where:
Base-Base interactions energy: -56.704
where: short stacking energy: -38.136
Base-Backbone interact. energy: 0.514
local terms energy: -52.524871
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: -3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -84.636284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.636284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.636284 (E_RNA)
where:
Base-Base interactions energy: -37.130
where: short stacking energy: -33.078
Base-Backbone interact. energy: -0.288
local terms energy: -47.218295
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -8.465
flat angles P-C4'-P energy: -7.890
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: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -85.544891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.544891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.544891 (E_RNA)
where:
Base-Base interactions energy: -42.466
where: short stacking energy: -40.636
Base-Backbone interact. energy: -0.138
local terms energy: -42.941059
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -3.598
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -6.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -237.312661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.312661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.312661 (E_RNA)
where:
Base-Base interactions energy: -160.806
where: short stacking energy: -68.864
Base-Backbone interact. energy: -0.109
local terms energy: -76.397761
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -226.865254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.865254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.865254 (E_RNA)
where:
Base-Base interactions energy: -142.997
where: short stacking energy: -70.679
Base-Backbone interact. energy: -1.861
local terms energy: -82.007569
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -23.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -206.884764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.884764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.884764 (E_RNA)
where:
Base-Base interactions energy: -139.803
where: short stacking energy: -72.957
Base-Backbone interact. energy: -0.030
local terms energy: -67.051512
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -207.018896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.018896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.018896 (E_RNA)
where:
Base-Base interactions energy: -132.613
where: short stacking energy: -68.641
Base-Backbone interact. energy: 1.137
local terms energy: -75.543001
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -19.430
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: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -207.947594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.947594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.947594 (E_RNA)
where:
Base-Base interactions energy: -133.154
where: short stacking energy: -65.088
Base-Backbone interact. energy: -0.003
local terms energy: -74.790403
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -20.797
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: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -170.353929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.353929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.353929 (E_RNA)
where:
Base-Base interactions energy: -102.864
where: short stacking energy: -51.528
Base-Backbone interact. energy: -0.558
local terms energy: -66.931609
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -12.354
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: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -173.685547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.685547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.685547 (E_RNA)
where:
Base-Base interactions energy: -108.774
where: short stacking energy: -53.739
Base-Backbone interact. energy: 0.286
local terms energy: -65.197514
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -13.693
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: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -107.643990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.643990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.643990 (E_RNA)
where:
Base-Base interactions energy: -41.700
where: short stacking energy: -36.986
Base-Backbone interact. energy: -0.338
local terms energy: -65.605816
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -9.402
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: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -88.308993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.308993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.308993 (E_RNA)
where:
Base-Base interactions energy: -45.417
where: short stacking energy: -30.479
Base-Backbone interact. energy: -0.490
local terms energy: -42.401563
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -9.186
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: 0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -76.261655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.261655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.261655 (E_RNA)
where:
Base-Base interactions energy: -31.505
where: short stacking energy: -14.672
Base-Backbone interact. energy: -0.315
local terms energy: -44.441749
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -5.323
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: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -235.263370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.263370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.263370 (E_RNA)
where:
Base-Base interactions energy: -157.778
where: short stacking energy: -59.707
Base-Backbone interact. energy: -0.162
local terms energy: -77.322989
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -204.543043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.543043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.543043 (E_RNA)
where:
Base-Base interactions energy: -132.624
where: short stacking energy: -66.832
Base-Backbone interact. energy: -0.207
local terms energy: -71.712158
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -215.273641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.273641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.273641 (E_RNA)
where:
Base-Base interactions energy: -138.104
where: short stacking energy: -71.542
Base-Backbone interact. energy: -0.221
local terms energy: -76.948895
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -198.012101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.012101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.012101 (E_RNA)
where:
Base-Base interactions energy: -132.251
where: short stacking energy: -62.393
Base-Backbone interact. energy: -0.002
local terms energy: -65.758269
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -12.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -176.240055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.240055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.240055 (E_RNA)
where:
Base-Base interactions energy: -108.268
where: short stacking energy: -45.619
Base-Backbone interact. energy: -0.545
local terms energy: -67.426508
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -13.682
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: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -159.931145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.931145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.931145 (E_RNA)
where:
Base-Base interactions energy: -93.090
where: short stacking energy: -53.402
Base-Backbone interact. energy: -0.343
local terms energy: -66.498307
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -156.836189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.836189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.836189 (E_RNA)
where:
Base-Base interactions energy: -90.846
where: short stacking energy: -51.007
Base-Backbone interact. energy: 0.396
local terms energy: -66.385767
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -11.129
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: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -97.153219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.153219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.153219 (E_RNA)
where:
Base-Base interactions energy: -46.972
where: short stacking energy: -29.802
Base-Backbone interact. energy: -0.340
local terms energy: -49.841247
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -77.327989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.327989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.327989 (E_RNA)
where:
Base-Base interactions energy: -23.963
where: short stacking energy: -23.082
Base-Backbone interact. energy: -0.242
local terms energy: -53.123160
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -78.966453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.966453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.966453 (E_RNA)
where:
Base-Base interactions energy: -31.599
where: short stacking energy: -23.671
Base-Backbone interact. energy: -0.108
local terms energy: -47.259529
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -0.054
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: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -230.326482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.326482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.326482 (E_RNA)
where:
Base-Base interactions energy: -155.312
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.176
local terms energy: -74.838872
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -16.131
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: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -214.568675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.568675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.568675 (E_RNA)
where:
Base-Base interactions energy: -137.581
where: short stacking energy: -70.090
Base-Backbone interact. energy: -0.055
local terms energy: -76.932066
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -211.953257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.953257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.953257 (E_RNA)
where:
Base-Base interactions energy: -137.427
where: short stacking energy: -80.447
Base-Backbone interact. energy: -0.463
local terms energy: -74.062488
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -8.818
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: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -203.556727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.556727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.556727 (E_RNA)
where:
Base-Base interactions energy: -125.917
where: short stacking energy: -65.450
Base-Backbone interact. energy: -0.494
local terms energy: -77.145745
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -17.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -173.650760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.650760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.650760 (E_RNA)
where:
Base-Base interactions energy: -100.880
where: short stacking energy: -49.250
Base-Backbone interact. energy: -0.570
local terms energy: -72.200330
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -11.132
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: 6, replica: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -190.055490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.055490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.055490 (E_RNA)
where:
Base-Base interactions energy: -127.543
where: short stacking energy: -53.656
Base-Backbone interact. energy: -1.201
local terms energy: -61.311723
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -108.199662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.199662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.199662 (E_RNA)
where:
Base-Base interactions energy: -50.264
where: short stacking energy: -25.243
Base-Backbone interact. energy: -0.053
local terms energy: -57.882357
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -149.129948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.129948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.129948 (E_RNA)
where:
Base-Base interactions energy: -95.488
where: short stacking energy: -42.852
Base-Backbone interact. energy: -0.291
local terms energy: -53.350957
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -8.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -92.054573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.054573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.054573 (E_RNA)
where:
Base-Base interactions energy: -36.503
where: short stacking energy: -23.796
Base-Backbone interact. energy: -0.231
local terms energy: -55.321243
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -82.823572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.823572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.823572 (E_RNA)
where:
Base-Base interactions energy: -30.693
where: short stacking energy: -30.693
Base-Backbone interact. energy: -0.160
local terms energy: -51.969627
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -8.196
flat angles P-C4'-P energy: -9.254
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: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -212.277325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.277325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.277325 (E_RNA)
where:
Base-Base interactions energy: -141.226
where: short stacking energy: -63.670
Base-Backbone interact. energy: -0.571
local terms energy: -70.480629
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -13.883
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: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -215.079203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.079203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.079203 (E_RNA)
where:
Base-Base interactions energy: -136.371
where: short stacking energy: -65.963
Base-Backbone interact. energy: -1.773
local terms energy: -76.935625
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -212.908938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.908938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.908938 (E_RNA)
where:
Base-Base interactions energy: -134.333
where: short stacking energy: -65.869
Base-Backbone interact. energy: -1.696
local terms energy: -76.880228
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -15.874
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: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -185.499112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.499112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.499112 (E_RNA)
where:
Base-Base interactions energy: -116.597
where: short stacking energy: -57.114
Base-Backbone interact. energy: -0.571
local terms energy: -68.331053
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -10.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -207.354204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.354204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.354204 (E_RNA)
where:
Base-Base interactions energy: -137.266
where: short stacking energy: -69.544
Base-Backbone interact. energy: -0.038
local terms energy: -70.050319
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -174.665705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.665705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.665705 (E_RNA)
where:
Base-Base interactions energy: -108.626
where: short stacking energy: -56.874
Base-Backbone interact. energy: 2.637
local terms energy: -68.676099
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -161.392705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.392705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.392705 (E_RNA)
where:
Base-Base interactions energy: -94.695
where: short stacking energy: -49.358
Base-Backbone interact. energy: -0.939
local terms energy: -65.758713
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -10.788
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: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -151.471976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.471976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.471976 (E_RNA)
where:
Base-Base interactions energy: -92.503
where: short stacking energy: -34.301
Base-Backbone interact. energy: -1.027
local terms energy: -57.941592
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -9.979
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: 9, replica: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -91.384982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.384982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.384982 (E_RNA)
where:
Base-Base interactions energy: -34.011
where: short stacking energy: -29.623
Base-Backbone interact. energy: 0.553
local terms energy: -57.927604
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -78.005951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.005951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.005951 (E_RNA)
where:
Base-Base interactions energy: -39.222
where: short stacking energy: -31.357
Base-Backbone interact. energy: -0.552
local terms energy: -38.231724
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -8.923
flat angles C4'-P-C4' energy: -1.950
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -3.585
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: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -223.411335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.411335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.411335 (E_RNA)
where:
Base-Base interactions energy: -141.077
where: short stacking energy: -68.513
Base-Backbone interact. energy: -0.123
local terms energy: -82.211242
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -204.945592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.945592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.945592 (E_RNA)
where:
Base-Base interactions energy: -136.880
where: short stacking energy: -58.932
Base-Backbone interact. energy: -0.700
local terms energy: -67.365817
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -10.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -204.477161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.477161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.477161 (E_RNA)
where:
Base-Base interactions energy: -130.434
where: short stacking energy: -75.315
Base-Backbone interact. energy: -0.406
local terms energy: -73.637903
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -10.722
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: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -181.589619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.589619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.589619 (E_RNA)
where:
Base-Base interactions energy: -104.179
where: short stacking energy: -62.671
Base-Backbone interact. energy: -0.698
local terms energy: -76.712880
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -199.009292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.009292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.009292 (E_RNA)
where:
Base-Base interactions energy: -136.579
where: short stacking energy: -58.382
Base-Backbone interact. energy: -0.089
local terms energy: -62.340546
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -8.975
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: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -178.778887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.778887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.778887 (E_RNA)
where:
Base-Base interactions energy: -109.510
where: short stacking energy: -58.687
Base-Backbone interact. energy: -0.049
local terms energy: -69.219257
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -149.922862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.922862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.922862 (E_RNA)
where:
Base-Base interactions energy: -97.355
where: short stacking energy: -44.375
Base-Backbone interact. energy: -0.771
local terms energy: -51.796576
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -3.493
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -153.961348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.961348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.961348 (E_RNA)
where:
Base-Base interactions energy: -106.292
where: short stacking energy: -50.405
Base-Backbone interact. energy: -0.610
local terms energy: -47.058713
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -87.679398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.679398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.679398 (E_RNA)
where:
Base-Base interactions energy: -32.290
where: short stacking energy: -32.290
Base-Backbone interact. energy: -0.073
local terms energy: -55.315954
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -83.516971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.516971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.516971 (E_RNA)
where:
Base-Base interactions energy: -29.774
where: short stacking energy: -29.774
Base-Backbone interact. energy: -0.330
local terms energy: -53.412255
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -7.516
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: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -225.572521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.572521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.572521 (E_RNA)
where:
Base-Base interactions energy: -153.022
where: short stacking energy: -61.765
Base-Backbone interact. energy: -0.139
local terms energy: -72.412094
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -11.019
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: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -224.788023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.788023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.788023 (E_RNA)
where:
Base-Base interactions energy: -148.592
where: short stacking energy: -77.619
Base-Backbone interact. energy: -1.147
local terms energy: -75.049160
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -226.260178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.260178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.260178 (E_RNA)
where:
Base-Base interactions energy: -159.066
where: short stacking energy: -68.057
Base-Backbone interact. energy: -0.042
local terms energy: -67.152335
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -200.861610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.861610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.861610 (E_RNA)
where:
Base-Base interactions energy: -127.604
where: short stacking energy: -64.918
Base-Backbone interact. energy: -0.768
local terms energy: -72.489280
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -9.911
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: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -170.210520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.210520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.210520 (E_RNA)
where:
Base-Base interactions energy: -103.687
where: short stacking energy: -60.614
Base-Backbone interact. energy: -0.050
local terms energy: -66.473311
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -13.381
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: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -182.568300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.568300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.568300 (E_RNA)
where:
Base-Base interactions energy: -114.963
where: short stacking energy: -54.868
Base-Backbone interact. energy: -0.032
local terms energy: -67.573879
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -15.105
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: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -152.891100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.891100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.891100 (E_RNA)
where:
Base-Base interactions energy: -94.714
where: short stacking energy: -49.515
Base-Backbone interact. energy: -0.609
local terms energy: -57.567769
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -7.626
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: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -158.963386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.963386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.963386 (E_RNA)
where:
Base-Base interactions energy: -97.528
where: short stacking energy: -52.234
Base-Backbone interact. energy: -0.034
local terms energy: -61.400723
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -10.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -95.464418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.464418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.464418 (E_RNA)
where:
Base-Base interactions energy: -42.383
where: short stacking energy: -38.757
Base-Backbone interact. energy: 0.038
local terms energy: -53.118923
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -4.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -75.024804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.024804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.024804 (E_RNA)
where:
Base-Base interactions energy: -23.755
where: short stacking energy: -19.439
Base-Backbone interact. energy: -1.476
local terms energy: -49.794223
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -5.129
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: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -235.635862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.635862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.635862 (E_RNA)
where:
Base-Base interactions energy: -151.871
where: short stacking energy: -76.351
Base-Backbone interact. energy: -0.419
local terms energy: -83.346656
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -23.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -223.725757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.725757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.725757 (E_RNA)
where:
Base-Base interactions energy: -144.846
where: short stacking energy: -68.389
Base-Backbone interact. energy: -0.026
local terms energy: -78.853885
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -23.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -232.715536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.715536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.715536 (E_RNA)
where:
Base-Base interactions energy: -158.221
where: short stacking energy: -59.127
Base-Backbone interact. energy: -0.311
local terms energy: -74.183751
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -181.974396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.974396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.974396 (E_RNA)
where:
Base-Base interactions energy: -123.671
where: short stacking energy: -55.093
Base-Backbone interact. energy: 0.695
local terms energy: -58.998365
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -8.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -172.353792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.353792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.353792 (E_RNA)
where:
Base-Base interactions energy: -108.270
where: short stacking energy: -59.985
Base-Backbone interact. energy: -0.506
local terms energy: -63.578507
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -163.222366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.222366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.222366 (E_RNA)
where:
Base-Base interactions energy: -92.919
where: short stacking energy: -46.786
Base-Backbone interact. energy: -0.519
local terms energy: -69.784325
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -12.215
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: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -151.135941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.135941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.135941 (E_RNA)
where:
Base-Base interactions energy: -85.869
where: short stacking energy: -43.010
Base-Backbone interact. energy: -0.976
local terms energy: -64.290455
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -166.517419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.517419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.517419 (E_RNA)
where:
Base-Base interactions energy: -110.090
where: short stacking energy: -60.267
Base-Backbone interact. energy: -0.189
local terms energy: -56.238287
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -97.066559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.066559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.066559 (E_RNA)
where:
Base-Base interactions energy: -36.100
where: short stacking energy: -33.731
Base-Backbone interact. energy: -0.021
local terms energy: -60.944836
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -87.818030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.818030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.818030 (E_RNA)
where:
Base-Base interactions energy: -46.090
where: short stacking energy: -32.004
Base-Backbone interact. energy: -0.634
local terms energy: -41.093895
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -226.956197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.956197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.956197 (E_RNA)
where:
Base-Base interactions energy: -151.037
where: short stacking energy: -70.656
Base-Backbone interact. energy: 0.597
local terms energy: -76.516311
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -19.113
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: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -232.796392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.796392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.796392 (E_RNA)
where:
Base-Base interactions energy: -156.345
where: short stacking energy: -63.460
Base-Backbone interact. energy: -0.080
local terms energy: -76.371457
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -12.232
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: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -211.446862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.446862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.446862 (E_RNA)
where:
Base-Base interactions energy: -137.066
where: short stacking energy: -69.350
Base-Backbone interact. energy: -0.080
local terms energy: -74.300334
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -7.691
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: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -182.883101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.883101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.883101 (E_RNA)
where:
Base-Base interactions energy: -116.772
where: short stacking energy: -62.943
Base-Backbone interact. energy: -0.061
local terms energy: -66.049880
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -8.968
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -15.782
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: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -200.512144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.512144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.512144 (E_RNA)
where:
Base-Base interactions energy: -133.170
where: short stacking energy: -59.870
Base-Backbone interact. energy: -0.533
local terms energy: -66.809829
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -12.157
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: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -174.122429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.122429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.122429 (E_RNA)
where:
Base-Base interactions energy: -108.109
where: short stacking energy: -55.646
Base-Backbone interact. energy: -1.456
local terms energy: -64.557301
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -15.103
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: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -150.576417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.576417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.576417 (E_RNA)
where:
Base-Base interactions energy: -87.907
where: short stacking energy: -37.591
Base-Backbone interact. energy: -0.308
local terms energy: -62.361344
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -11.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -171.047852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.047852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.047852 (E_RNA)
where:
Base-Base interactions energy: -98.946
where: short stacking energy: -54.427
Base-Backbone interact. energy: -0.369
local terms energy: -71.732615
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -15.743
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: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -94.308662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.308662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.308662 (E_RNA)
where:
Base-Base interactions energy: -45.033
where: short stacking energy: -45.033
Base-Backbone interact. energy: -0.043
local terms energy: -49.232943
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -10.275
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: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -87.623315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.623315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.623315 (E_RNA)
where:
Base-Base interactions energy: -26.608
where: short stacking energy: -25.531
Base-Backbone interact. energy: 0.031
local terms energy: -61.045967
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -224.583716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.583716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.583716 (E_RNA)
where:
Base-Base interactions energy: -147.922
where: short stacking energy: -63.797
Base-Backbone interact. energy: 0.617
local terms energy: -77.279037
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -216.897308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.897308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.897308 (E_RNA)
where:
Base-Base interactions energy: -144.811
where: short stacking energy: -63.206
Base-Backbone interact. energy: -0.504
local terms energy: -71.582446
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -226.779429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.779429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.779429 (E_RNA)
where:
Base-Base interactions energy: -149.871
where: short stacking energy: -72.340
Base-Backbone interact. energy: -0.086
local terms energy: -76.822446
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -22.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -182.139520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.139520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.139520 (E_RNA)
where:
Base-Base interactions energy: -109.010
where: short stacking energy: -57.072
Base-Backbone interact. energy: -0.012
local terms energy: -73.117490
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -12.428
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: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -208.955762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.955762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.955762 (E_RNA)
where:
Base-Base interactions energy: -141.292
where: short stacking energy: -57.323
Base-Backbone interact. energy: -0.481
local terms energy: -67.183070
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -12.753
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: 328
Temperature: 1.150000
Total energy: -181.023156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.023156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.023156 (E_RNA)
where:
Base-Base interactions energy: -119.456
where: short stacking energy: -50.297
Base-Backbone interact. energy: -0.693
local terms energy: -60.874602
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -12.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -143.291177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.291177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.291177 (E_RNA)
where:
Base-Base interactions energy: -88.490
where: short stacking energy: -41.109
Base-Backbone interact. energy: 3.015
local terms energy: -57.816233
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -4.252
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -158.083952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.083952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.083952 (E_RNA)
where:
Base-Base interactions energy: -95.751
where: short stacking energy: -48.032
Base-Backbone interact. energy: -0.257
local terms energy: -62.076213
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -13.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -91.358450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.358450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.358450 (E_RNA)
where:
Base-Base interactions energy: -35.196
where: short stacking energy: -31.945
Base-Backbone interact. energy: -0.299
local terms energy: -55.863361
where:
bonds (distance) C4'-P energy: -9.154
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -84.512424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.512424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.512424 (E_RNA)
where:
Base-Base interactions energy: -33.446
where: short stacking energy: -27.906
Base-Backbone interact. energy: -1.047
local terms energy: -50.019448
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -227.719648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.719648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.719648 (E_RNA)
where:
Base-Base interactions energy: -157.599
where: short stacking energy: -80.916
Base-Backbone interact. energy: -0.051
local terms energy: -70.069732
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -237.408100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.408100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.408100 (E_RNA)
where:
Base-Base interactions energy: -155.346
where: short stacking energy: -71.000
Base-Backbone interact. energy: -0.151
local terms energy: -81.911730
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -205.859348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.859348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.859348 (E_RNA)
where:
Base-Base interactions energy: -138.679
where: short stacking energy: -55.776
Base-Backbone interact. energy: 0.041
local terms energy: -67.221197
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -210.909164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.909164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.909164 (E_RNA)
where:
Base-Base interactions energy: -140.249
where: short stacking energy: -68.629
Base-Backbone interact. energy: -0.110
local terms energy: -70.549950
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -189.352988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.352988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.352988 (E_RNA)
where:
Base-Base interactions energy: -119.841
where: short stacking energy: -57.423
Base-Backbone interact. energy: -0.046
local terms energy: -69.466413
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -6.193
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: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -172.493207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.493207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.493207 (E_RNA)
where:
Base-Base interactions energy: -113.233
where: short stacking energy: -44.304
Base-Backbone interact. energy: -0.461
local terms energy: -58.799273
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -8.526
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -131.404058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.404058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.404058 (E_RNA)
where:
Base-Base interactions energy: -78.174
where: short stacking energy: -49.157
Base-Backbone interact. energy: 2.717
local terms energy: -55.947340
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -151.418626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.418626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.418626 (E_RNA)
where:
Base-Base interactions energy: -84.185
where: short stacking energy: -52.187
Base-Backbone interact. energy: -0.130
local terms energy: -67.103468
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -10.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -91.826473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.826473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.826473 (E_RNA)
where:
Base-Base interactions energy: -42.623
where: short stacking energy: -24.721
Base-Backbone interact. energy: 0.308
local terms energy: -49.512129
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -7.949
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: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -90.041158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.041158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.041158 (E_RNA)
where:
Base-Base interactions energy: -32.511
where: short stacking energy: -32.381
Base-Backbone interact. energy: -0.440
local terms energy: -57.089956
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -5.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -224.392517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.392517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.392517 (E_RNA)
where:
Base-Base interactions energy: -145.918
where: short stacking energy: -63.942
Base-Backbone interact. energy: -0.417
local terms energy: -78.057349
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -222.080174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.080174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.080174 (E_RNA)
where:
Base-Base interactions energy: -140.960
where: short stacking energy: -70.049
Base-Backbone interact. energy: 1.107
local terms energy: -82.226878
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -233.476774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.476774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.476774 (E_RNA)
where:
Base-Base interactions energy: -163.656
where: short stacking energy: -66.890
Base-Backbone interact. energy: 0.429
local terms energy: -70.250197
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -12.598
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: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -208.902673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.902673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.902673 (E_RNA)
where:
Base-Base interactions energy: -142.650
where: short stacking energy: -59.588
Base-Backbone interact. energy: -1.294
local terms energy: -64.958674
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -191.616339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.616339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.616339 (E_RNA)
where:
Base-Base interactions energy: -130.074
where: short stacking energy: -54.937
Base-Backbone interact. energy: -0.086
local terms energy: -61.456402
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -156.287861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.287861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.287861 (E_RNA)
where:
Base-Base interactions energy: -94.613
where: short stacking energy: -45.018
Base-Backbone interact. energy: -0.164
local terms energy: -61.510666
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -12.362
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: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -161.134973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.134973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.134973 (E_RNA)
where:
Base-Base interactions energy: -105.130
where: short stacking energy: -48.663
Base-Backbone interact. energy: -1.069
local terms energy: -54.935838
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -112.511687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.511687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.511687 (E_RNA)
where:
Base-Base interactions energy: -56.314
where: short stacking energy: -43.863
Base-Backbone interact. energy: 0.741
local terms energy: -56.939190
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -5.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -132.529080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.529080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.529080 (E_RNA)
where:
Base-Base interactions energy: -68.844
where: short stacking energy: -44.120
Base-Backbone interact. energy: -0.402
local terms energy: -63.283360
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -11.257
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: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -81.186988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.186988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.186988 (E_RNA)
where:
Base-Base interactions energy: -35.986
where: short stacking energy: -35.986
Base-Backbone interact. energy: 0.497
local terms energy: -45.697171
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: 0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -221.039819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.039819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.039819 (E_RNA)
where:
Base-Base interactions energy: -143.766
where: short stacking energy: -72.056
Base-Backbone interact. energy: -0.001
local terms energy: -77.272308
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -17.229
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: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -226.119757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.119757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.119757 (E_RNA)
where:
Base-Base interactions energy: -154.027
where: short stacking energy: -71.011
Base-Backbone interact. energy: -0.864
local terms energy: -71.228684
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -13.298
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: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -222.738958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.738958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.738958 (E_RNA)
where:
Base-Base interactions energy: -150.831
where: short stacking energy: -59.359
Base-Backbone interact. energy: -0.179
local terms energy: -71.728921
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -217.006212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.006212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.006212 (E_RNA)
where:
Base-Base interactions energy: -144.057
where: short stacking energy: -63.622
Base-Backbone interact. energy: -0.162
local terms energy: -72.787160
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -192.315916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.315916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.315916 (E_RNA)
where:
Base-Base interactions energy: -125.603
where: short stacking energy: -62.775
Base-Backbone interact. energy: -0.174
local terms energy: -66.538261
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -11.005
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: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -166.926190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.926190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.926190 (E_RNA)
where:
Base-Base interactions energy: -98.992
where: short stacking energy: -44.947
Base-Backbone interact. energy: -0.113
local terms energy: -67.822058
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -16.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -167.993127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.993127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.993127 (E_RNA)
where:
Base-Base interactions energy: -101.227
where: short stacking energy: -47.533
Base-Backbone interact. energy: -0.255
local terms energy: -66.511077
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -6.810
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: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -115.899367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.899367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.899367 (E_RNA)
where:
Base-Base interactions energy: -58.733
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.200
local terms energy: -56.966229
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -96.755128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.755128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.755128 (E_RNA)
where:
Base-Base interactions energy: -42.067
where: short stacking energy: -24.559
Base-Backbone interact. energy: -0.204
local terms energy: -54.483356
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -91.958774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.958774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.958774 (E_RNA)
where:
Base-Base interactions energy: -42.820
where: short stacking energy: -28.919
Base-Backbone interact. energy: -0.275
local terms energy: -48.862814
where:
bonds (distance) C4'-P energy: -7.846
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -241.237156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.237156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.237156 (E_RNA)
where:
Base-Base interactions energy: -166.780
where: short stacking energy: -67.162
Base-Backbone interact. energy: -0.095
local terms energy: -74.362107
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -220.238392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.238392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.238392 (E_RNA)
where:
Base-Base interactions energy: -141.319
where: short stacking energy: -71.169
Base-Backbone interact. energy: -0.001
local terms energy: -78.918130
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -211.418113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.418113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.418113 (E_RNA)
where:
Base-Base interactions energy: -144.301
where: short stacking energy: -52.630
Base-Backbone interact. energy: -0.526
local terms energy: -66.591270
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -213.697553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.697553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.697553 (E_RNA)
where:
Base-Base interactions energy: -135.236
where: short stacking energy: -67.122
Base-Backbone interact. energy: -0.036
local terms energy: -78.425027
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -177.350287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.350287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.350287 (E_RNA)
where:
Base-Base interactions energy: -108.825
where: short stacking energy: -52.300
Base-Backbone interact. energy: -0.182
local terms energy: -68.343533
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -10.593
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: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -180.372434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.372434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.372434 (E_RNA)
where:
Base-Base interactions energy: -115.612
where: short stacking energy: -58.848
Base-Backbone interact. energy: -0.168
local terms energy: -64.592036
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -12.493
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: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -171.024829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.024829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.024829 (E_RNA)
where:
Base-Base interactions energy: -109.871
where: short stacking energy: -60.421
Base-Backbone interact. energy: -0.087
local terms energy: -61.066544
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -91.607077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.607077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.607077 (E_RNA)
where:
Base-Base interactions energy: -45.293
where: short stacking energy: -26.499
Base-Backbone interact. energy: -0.065
local terms energy: -46.249736
where:
bonds (distance) C4'-P energy: -9.261
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -4.949
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: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -92.602594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.602594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.602594 (E_RNA)
where:
Base-Base interactions energy: -38.181
where: short stacking energy: -35.980
Base-Backbone interact. energy: -0.143
local terms energy: -54.279213
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -6.940
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -83.444554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.444554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.444554 (E_RNA)
where:
Base-Base interactions energy: -30.054
where: short stacking energy: -31.176
Base-Backbone interact. energy: 1.321
local terms energy: -54.711898
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -233.408370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.408370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.408370 (E_RNA)
where:
Base-Base interactions energy: -153.403
where: short stacking energy: -64.960
Base-Backbone interact. energy: -0.727
local terms energy: -79.277714
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -6.956
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: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -236.972513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.972513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.972513 (E_RNA)
where:
Base-Base interactions energy: -157.748
where: short stacking energy: -63.541
Base-Backbone interact. energy: -0.490
local terms energy: -78.734486
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -12.157
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: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -217.801535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.801535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.801535 (E_RNA)
where:
Base-Base interactions energy: -144.303
where: short stacking energy: -62.436
Base-Backbone interact. energy: -0.090
local terms energy: -73.408392
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -223.680147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.680147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.680147 (E_RNA)
where:
Base-Base interactions energy: -158.521
where: short stacking energy: -59.887
Base-Backbone interact. energy: -0.591
local terms energy: -64.568752
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -11.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -157.040888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.040888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.040888 (E_RNA)
where:
Base-Base interactions energy: -96.426
where: short stacking energy: -54.838
Base-Backbone interact. energy: -0.169
local terms energy: -60.445599
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -177.512038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.512038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.512038 (E_RNA)
where:
Base-Base interactions energy: -114.345
where: short stacking energy: -53.424
Base-Backbone interact. energy: -0.019
local terms energy: -63.147974
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -10.783
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: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -172.864105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.864105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.864105 (E_RNA)
where:
Base-Base interactions energy: -106.564
where: short stacking energy: -40.002
Base-Backbone interact. energy: -0.243
local terms energy: -66.057243
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -9.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -118.511502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511502 (E_RNA)
where:
Base-Base interactions energy: -67.328
where: short stacking energy: -29.854
Base-Backbone interact. energy: -0.368
local terms energy: -50.815695
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -86.352024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.352024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.352024 (E_RNA)
where:
Base-Base interactions energy: -44.374
where: short stacking energy: -32.327
Base-Backbone interact. energy: -1.207
local terms energy: -40.770168
where:
bonds (distance) C4'-P energy: -7.613
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -77.941902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.941902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.941902 (E_RNA)
where:
Base-Base interactions energy: -28.449
where: short stacking energy: -28.449
Base-Backbone interact. energy: -0.136
local terms energy: -49.356421
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -242.060461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.060461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.060461 (E_RNA)
where:
Base-Base interactions energy: -162.114
where: short stacking energy: -65.711
Base-Backbone interact. energy: -0.419
local terms energy: -79.526689
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -16.768
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: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -239.374384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.374384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.374384 (E_RNA)
where:
Base-Base interactions energy: -161.766
where: short stacking energy: -72.490
Base-Backbone interact. energy: -0.065
local terms energy: -77.544159
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -12.574
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: 3, replica: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -221.857987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.857987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.857987 (E_RNA)
where:
Base-Base interactions energy: -157.055
where: short stacking energy: -58.212
Base-Backbone interact. energy: -1.275
local terms energy: -63.528307
where:
bonds (distance) C4'-P energy: -8.877
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -8.884
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: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -201.797737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.797737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.797737 (E_RNA)
where:
Base-Base interactions energy: -125.279
where: short stacking energy: -61.466
Base-Backbone interact. energy: -0.440
local terms energy: -76.078876
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -14.172
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: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -184.160508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.160508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.160508 (E_RNA)
where:
Base-Base interactions energy: -124.830
where: short stacking energy: -63.312
Base-Backbone interact. energy: -0.166
local terms energy: -59.165209
where:
bonds (distance) C4'-P energy: -8.483
bonds (distance) P-C4' energy: -6.779
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -14.889
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: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -166.986508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.986508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.986508 (E_RNA)
where:
Base-Base interactions energy: -94.387
where: short stacking energy: -50.111
Base-Backbone interact. energy: -0.119
local terms energy: -72.480127
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -14.066
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: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -177.795583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.795583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.795583 (E_RNA)
where:
Base-Base interactions energy: -110.562
where: short stacking energy: -49.962
Base-Backbone interact. energy: -0.348
local terms energy: -66.886373
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -10.298
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: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -92.389538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.389538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.389538 (E_RNA)
where:
Base-Base interactions energy: -38.640
where: short stacking energy: -32.695
Base-Backbone interact. energy: -0.106
local terms energy: -53.643487
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -10.637
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: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -87.467182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.467182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.467182 (E_RNA)
where:
Base-Base interactions energy: -26.865
where: short stacking energy: -26.474
Base-Backbone interact. energy: -0.139
local terms energy: -60.462678
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -5.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -78.718015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.718015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.718015 (E_RNA)
where:
Base-Base interactions energy: -34.331
where: short stacking energy: -25.250
Base-Backbone interact. energy: -0.193
local terms energy: -44.194143
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: 1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -235.878762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.878762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.878762 (E_RNA)
where:
Base-Base interactions energy: -164.960
where: short stacking energy: -71.667
Base-Backbone interact. energy: -0.703
local terms energy: -70.215109
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -16.957
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: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -216.225087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.225087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.225087 (E_RNA)
where:
Base-Base interactions energy: -141.974
where: short stacking energy: -61.610
Base-Backbone interact. energy: -0.802
local terms energy: -73.449112
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -14.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -214.472992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.472992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.472992 (E_RNA)
where:
Base-Base interactions energy: -139.672
where: short stacking energy: -54.996
Base-Backbone interact. energy: -1.159
local terms energy: -73.641103
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -13.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -186.629062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.629062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.629062 (E_RNA)
where:
Base-Base interactions energy: -114.943
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.006
local terms energy: -71.679665
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -10.257
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: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -198.592914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.592914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.592914 (E_RNA)
where:
Base-Base interactions energy: -129.882
where: short stacking energy: -62.055
Base-Backbone interact. energy: -0.044
local terms energy: -68.667056
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -188.538795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.538795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.538795 (E_RNA)
where:
Base-Base interactions energy: -119.262
where: short stacking energy: -52.725
Base-Backbone interact. energy: -0.041
local terms energy: -69.235738
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -17.045
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: 335
Temperature: 1.200000
Total energy: -166.225111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.225111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.225111 (E_RNA)
where:
Base-Base interactions energy: -102.062
where: short stacking energy: -45.765
Base-Backbone interact. energy: -0.079
local terms energy: -64.084743
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -117.097123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.097123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.097123 (E_RNA)
where:
Base-Base interactions energy: -62.741
where: short stacking energy: -43.334
Base-Backbone interact. energy: -0.268
local terms energy: -54.088240
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -7.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -87.958459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.958459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.958459 (E_RNA)
where:
Base-Base interactions energy: -35.403
where: short stacking energy: -35.403
Base-Backbone interact. energy: -0.051
local terms energy: -52.504372
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -85.250693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.250693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.250693 (E_RNA)
where:
Base-Base interactions energy: -35.278
where: short stacking energy: -34.562
Base-Backbone interact. energy: -0.033
local terms energy: -49.939225
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -242.786749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.786749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.786749 (E_RNA)
where:
Base-Base interactions energy: -166.599
where: short stacking energy: -67.547
Base-Backbone interact. energy: -0.645
local terms energy: -75.542573
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -224.209614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.209614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.209614 (E_RNA)
where:
Base-Base interactions energy: -152.407
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.199
local terms energy: -71.603499
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -208.156653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.156653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.156653 (E_RNA)
where:
Base-Base interactions energy: -135.376
where: short stacking energy: -59.472
Base-Backbone interact. energy: -0.078
local terms energy: -72.702722
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -207.347104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.347104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.347104 (E_RNA)
where:
Base-Base interactions energy: -131.872
where: short stacking energy: -72.108
Base-Backbone interact. energy: -0.002
local terms energy: -75.472826
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -191.733640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.733640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.733640 (E_RNA)
where:
Base-Base interactions energy: -118.215
where: short stacking energy: -52.627
Base-Backbone interact. energy: -0.183
local terms energy: -73.335872
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -186.506908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.506908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.506908 (E_RNA)
where:
Base-Base interactions energy: -117.690
where: short stacking energy: -53.951
Base-Backbone interact. energy: -0.123
local terms energy: -68.694344
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -1.936
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -184.320546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.320546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.320546 (E_RNA)
where:
Base-Base interactions energy: -128.119
where: short stacking energy: -62.263
Base-Backbone interact. energy: -0.009
local terms energy: -56.191810
where:
bonds (distance) C4'-P energy: -5.001
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -16.534
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: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -99.277276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.277276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.277276 (E_RNA)
where:
Base-Base interactions energy: -41.961
where: short stacking energy: -41.614
Base-Backbone interact. energy: 0.127
local terms energy: -57.443660
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -8.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -84.119907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.119907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.119907 (E_RNA)
where:
Base-Base interactions energy: -41.638
where: short stacking energy: -28.513
Base-Backbone interact. energy: -0.125
local terms energy: -42.357471
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -6.562
flat angles C4'-P-C4' energy: -9.197
flat angles P-C4'-P energy: -10.739
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: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -79.243245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.243245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.243245 (E_RNA)
where:
Base-Base interactions energy: -22.958
where: short stacking energy: -17.404
Base-Backbone interact. energy: -0.146
local terms energy: -56.138719
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -9.678
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: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -241.949866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.949866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.949866 (E_RNA)
where:
Base-Base interactions energy: -160.835
where: short stacking energy: -67.301
Base-Backbone interact. energy: -0.136
local terms energy: -80.978868
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -16.437
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: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -223.702585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.702585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.702585 (E_RNA)
where:
Base-Base interactions energy: -147.607
where: short stacking energy: -61.866
Base-Backbone interact. energy: -0.025
local terms energy: -76.069958
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -208.469353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.469353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.469353 (E_RNA)
where:
Base-Base interactions energy: -137.156
where: short stacking energy: -60.704
Base-Backbone interact. energy: -0.253
local terms energy: -71.059587
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -213.364526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.364526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.364526 (E_RNA)
where:
Base-Base interactions energy: -137.462
where: short stacking energy: -67.279
Base-Backbone interact. energy: -0.098
local terms energy: -75.804284
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -21.604
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: 337
Temperature: 1.100000
Total energy: -198.120891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.120891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.120891 (E_RNA)
where:
Base-Base interactions energy: -131.306
where: short stacking energy: -49.674
Base-Backbone interact. energy: -0.004
local terms energy: -66.811055
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -10.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -160.369503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.369503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.369503 (E_RNA)
where:
Base-Base interactions energy: -92.814
where: short stacking energy: -53.471
Base-Backbone interact. energy: -0.246
local terms energy: -67.309989
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -195.318316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.318316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.318316 (E_RNA)
where:
Base-Base interactions energy: -121.766
where: short stacking energy: -66.286
Base-Backbone interact. energy: -1.140
local terms energy: -72.412437
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -88.572606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.572606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.572606 (E_RNA)
where:
Base-Base interactions energy: -31.821
where: short stacking energy: -29.680
Base-Backbone interact. energy: -0.060
local terms energy: -56.691606
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: -9.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -92.240158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.240158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.240158 (E_RNA)
where:
Base-Base interactions energy: -44.210
where: short stacking energy: -31.074
Base-Backbone interact. energy: -0.127
local terms energy: -47.902708
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -78.764217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.764217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.764217 (E_RNA)
where:
Base-Base interactions energy: -38.955
where: short stacking energy: -26.026
Base-Backbone interact. energy: -0.048
local terms energy: -39.761131
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -7.304
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: 2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -244.930549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.930549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.930549 (E_RNA)
where:
Base-Base interactions energy: -171.394
where: short stacking energy: -68.610
Base-Backbone interact. energy: -0.188
local terms energy: -73.349262
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -18.285
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: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -219.503316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.503316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.503316 (E_RNA)
where:
Base-Base interactions energy: -152.533
where: short stacking energy: -60.957
Base-Backbone interact. energy: -0.105
local terms energy: -66.865250
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -197.464618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.464618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.464618 (E_RNA)
where:
Base-Base interactions energy: -127.579
where: short stacking energy: -64.398
Base-Backbone interact. energy: 1.558
local terms energy: -71.444264
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -205.541482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.541482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.541482 (E_RNA)
where:
Base-Base interactions energy: -129.086
where: short stacking energy: -47.157
Base-Backbone interact. energy: -0.136
local terms energy: -76.320109
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -13.915
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: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -196.331625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.331625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.331625 (E_RNA)
where:
Base-Base interactions energy: -125.798
where: short stacking energy: -62.668
Base-Backbone interact. energy: -0.007
local terms energy: -70.526547
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -156.395984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.395984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.395984 (E_RNA)
where:
Base-Base interactions energy: -91.202
where: short stacking energy: -53.885
Base-Backbone interact. energy: -0.095
local terms energy: -65.099089
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -5.951
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: 7, replica: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -174.854365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.854365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.854365 (E_RNA)
where:
Base-Base interactions energy: -100.263
where: short stacking energy: -57.128
Base-Backbone interact. energy: -0.005
local terms energy: -74.586385
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -8.332
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: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -87.316495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.316495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.316495 (E_RNA)
where:
Base-Base interactions energy: -32.274
where: short stacking energy: -22.498
Base-Backbone interact. energy: -0.243
local terms energy: -54.799252
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -88.404304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.404304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.404304 (E_RNA)
where:
Base-Base interactions energy: -33.536
where: short stacking energy: -33.190
Base-Backbone interact. energy: -0.283
local terms energy: -54.585382
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -84.798988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.798988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.798988 (E_RNA)
where:
Base-Base interactions energy: -31.580
where: short stacking energy: -26.760
Base-Backbone interact. energy: -0.114
local terms energy: -53.105828
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -1.092
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: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -240.449645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.449645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.449645 (E_RNA)
where:
Base-Base interactions energy: -161.664
where: short stacking energy: -70.239
Base-Backbone interact. energy: -0.455
local terms energy: -78.330287
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -17.003
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: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -209.683283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.683283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.683283 (E_RNA)
where:
Base-Base interactions energy: -133.541
where: short stacking energy: -68.995
Base-Backbone interact. energy: -0.102
local terms energy: -76.040539
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -14.210
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: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -222.058676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.058676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.058676 (E_RNA)
where:
Base-Base interactions energy: -140.128
where: short stacking energy: -63.638
Base-Backbone interact. energy: -0.285
local terms energy: -81.646269
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -208.860650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.860650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.860650 (E_RNA)
where:
Base-Base interactions energy: -145.106
where: short stacking energy: -53.235
Base-Backbone interact. energy: -0.119
local terms energy: -63.635748
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -7.961
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -198.371923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.371923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.371923 (E_RNA)
where:
Base-Base interactions energy: -126.468
where: short stacking energy: -65.023
Base-Backbone interact. energy: -1.257
local terms energy: -70.647683
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -7.068
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: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -175.044500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.044500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.044500 (E_RNA)
where:
Base-Base interactions energy: -107.835
where: short stacking energy: -45.624
Base-Backbone interact. energy: -0.329
local terms energy: -66.881310
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -156.162015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.162015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.162015 (E_RNA)
where:
Base-Base interactions energy: -99.074
where: short stacking energy: -44.664
Base-Backbone interact. energy: 1.172
local terms energy: -58.259570
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -89.330151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.330151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.330151 (E_RNA)
where:
Base-Base interactions energy: -29.023
where: short stacking energy: -27.627
Base-Backbone interact. energy: -0.018
local terms energy: -60.288648
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -82.045828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.045828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.045828 (E_RNA)
where:
Base-Base interactions energy: -30.088
where: short stacking energy: -27.550
Base-Backbone interact. energy: -0.188
local terms energy: -51.769689
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -87.726611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.726611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.726611 (E_RNA)
where:
Base-Base interactions energy: -46.198
where: short stacking energy: -38.051
Base-Backbone interact. energy: 1.071
local terms energy: -42.599277
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: 1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -244.416809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.416809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.416809 (E_RNA)
where:
Base-Base interactions energy: -165.053
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.190
local terms energy: -79.173566
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -13.606
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: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -216.370092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.370092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.370092 (E_RNA)
where:
Base-Base interactions energy: -134.855
where: short stacking energy: -72.099
Base-Backbone interact. energy: -0.037
local terms energy: -81.478147
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -227.148414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.148414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.148414 (E_RNA)
where:
Base-Base interactions energy: -151.419
where: short stacking energy: -64.251
Base-Backbone interact. energy: -0.472
local terms energy: -75.257512
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -11.502
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: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -184.543105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.543105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.543105 (E_RNA)
where:
Base-Base interactions energy: -118.210
where: short stacking energy: -50.634
Base-Backbone interact. energy: 0.437
local terms energy: -66.770347
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -5.014
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: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -192.480070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.480070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.480070 (E_RNA)
where:
Base-Base interactions energy: -115.853
where: short stacking energy: -59.669
Base-Backbone interact. energy: -1.149
local terms energy: -75.478017
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -168.938948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.938948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.938948 (E_RNA)
where:
Base-Base interactions energy: -98.593
where: short stacking energy: -52.134
Base-Backbone interact. energy: 0.445
local terms energy: -70.790966
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -174.122530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.122530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.122530 (E_RNA)
where:
Base-Base interactions energy: -118.178
where: short stacking energy: -57.570
Base-Backbone interact. energy: -0.038
local terms energy: -55.906802
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -13.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -100.772384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.772384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.772384 (E_RNA)
where:
Base-Base interactions energy: -44.471
where: short stacking energy: -44.471
Base-Backbone interact. energy: -0.184
local terms energy: -56.117393
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -10.600
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -8.353
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: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -116.920815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.920815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.920815 (E_RNA)
where:
Base-Base interactions energy: -58.552
where: short stacking energy: -29.439
Base-Backbone interact. energy: -2.424
local terms energy: -55.944313
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -7.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -84.799045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.799045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.799045 (E_RNA)
where:
Base-Base interactions energy: -33.970
where: short stacking energy: -32.928
Base-Backbone interact. energy: -1.201
local terms energy: -49.628844
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -236.637106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.637106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.637106 (E_RNA)
where:
Base-Base interactions energy: -162.546
where: short stacking energy: -68.093
Base-Backbone interact. energy: -0.347
local terms energy: -73.743478
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -9.100
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -212.027815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.027815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.027815 (E_RNA)
where:
Base-Base interactions energy: -140.254
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.923
local terms energy: -70.851294
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -9.996
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: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -216.190507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.190507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.190507 (E_RNA)
where:
Base-Base interactions energy: -147.476
where: short stacking energy: -75.959
Base-Backbone interact. energy: -0.659
local terms energy: -68.055114
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -193.503581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.503581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.503581 (E_RNA)
where:
Base-Base interactions energy: -122.250
where: short stacking energy: -48.465
Base-Backbone interact. energy: -1.071
local terms energy: -70.182173
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -202.860430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.860430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.860430 (E_RNA)
where:
Base-Base interactions energy: -134.296
where: short stacking energy: -67.192
Base-Backbone interact. energy: -0.052
local terms energy: -68.512303
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -9.176
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: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -166.927017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.927017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.927017 (E_RNA)
where:
Base-Base interactions energy: -96.004
where: short stacking energy: -52.184
Base-Backbone interact. energy: -0.114
local terms energy: -70.808951
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -137.074828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.074828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.074828 (E_RNA)
where:
Base-Base interactions energy: -80.998
where: short stacking energy: -45.386
Base-Backbone interact. energy: -0.182
local terms energy: -55.894717
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -9.175
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: 8, replica: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -97.542015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.542015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.542015 (E_RNA)
where:
Base-Base interactions energy: -52.766
where: short stacking energy: -36.038
Base-Backbone interact. energy: -0.369
local terms energy: -44.407405
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -7.713
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -94.408219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.408219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.408219 (E_RNA)
where:
Base-Base interactions energy: -47.659
where: short stacking energy: -31.703
Base-Backbone interact. energy: -0.138
local terms energy: -46.611372
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -5.541
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: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -93.465466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.465466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.465466 (E_RNA)
where:
Base-Base interactions energy: -40.778
where: short stacking energy: -40.778
Base-Backbone interact. energy: -0.006
local terms energy: -52.681196
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -6.720
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -239.768672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.768672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.768672 (E_RNA)
where:
Base-Base interactions energy: -168.088
where: short stacking energy: -73.780
Base-Backbone interact. energy: 0.367
local terms energy: -72.047572
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -16.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -211.642855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.642855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.642855 (E_RNA)
where:
Base-Base interactions energy: -139.127
where: short stacking energy: -57.361
Base-Backbone interact. energy: -0.219
local terms energy: -72.296917
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -12.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -209.412401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.412401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.412401 (E_RNA)
where:
Base-Base interactions energy: -129.007
where: short stacking energy: -66.301
Base-Backbone interact. energy: -0.070
local terms energy: -80.334737
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -209.023517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.023517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.023517 (E_RNA)
where:
Base-Base interactions energy: -133.175
where: short stacking energy: -64.362
Base-Backbone interact. energy: -1.530
local terms energy: -74.318276
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -19.711
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: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -195.774250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.774250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.774250 (E_RNA)
where:
Base-Base interactions energy: -121.561
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.029
local terms energy: -74.184457
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -17.956
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: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -179.642444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.642444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.642444 (E_RNA)
where:
Base-Base interactions energy: -114.674
where: short stacking energy: -47.447
Base-Backbone interact. energy: -0.551
local terms energy: -64.417279
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -87.710547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.710547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.710547 (E_RNA)
where:
Base-Base interactions energy: -36.517
where: short stacking energy: -16.928
Base-Backbone interact. energy: -0.357
local terms energy: -50.837095
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -112.397224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.397224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.397224 (E_RNA)
where:
Base-Base interactions energy: -58.290
where: short stacking energy: -30.681
Base-Backbone interact. energy: -0.121
local terms energy: -53.985621
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -90.748749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.748749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.748749 (E_RNA)
where:
Base-Base interactions energy: -41.608
where: short stacking energy: -39.429
Base-Backbone interact. energy: -0.220
local terms energy: -48.920565
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -5.408
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -7.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -84.222842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.222842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.222842 (E_RNA)
where:
Base-Base interactions energy: -40.850
where: short stacking energy: -40.850
Base-Backbone interact. energy: -0.106
local terms energy: -43.266368
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -1.923
tors. eta vs tors. theta energy: -6.897
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: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -244.041517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.041517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.041517 (E_RNA)
where:
Base-Base interactions energy: -161.286
where: short stacking energy: -70.425
Base-Backbone interact. energy: -0.779
local terms energy: -81.976646
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -212.337998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.337998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.337998 (E_RNA)
where:
Base-Base interactions energy: -139.113
where: short stacking energy: -53.723
Base-Backbone interact. energy: -0.463
local terms energy: -72.761616
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -216.111252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.111252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.111252 (E_RNA)
where:
Base-Base interactions energy: -148.731
where: short stacking energy: -53.897
Base-Backbone interact. energy: -0.130
local terms energy: -67.250142
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -203.727861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.727861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.727861 (E_RNA)
where:
Base-Base interactions energy: -125.054
where: short stacking energy: -57.673
Base-Backbone interact. energy: -0.001
local terms energy: -78.673070
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -18.331
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: 343
Temperature: 1.100000
Total energy: -188.648099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.648099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.648099 (E_RNA)
where:
Base-Base interactions energy: -120.522
where: short stacking energy: -61.054
Base-Backbone interact. energy: -0.912
local terms energy: -67.214144
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -161.290996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.290996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.290996 (E_RNA)
where:
Base-Base interactions energy: -97.270
where: short stacking energy: -53.031
Base-Backbone interact. energy: 0.888
local terms energy: -64.909472
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -13.801
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: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -103.482624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.482624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.482624 (E_RNA)
where:
Base-Base interactions energy: -41.955
where: short stacking energy: -39.903
Base-Backbone interact. energy: -0.136
local terms energy: -61.391774
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -7.984
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: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -95.221471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.221471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.221471 (E_RNA)
where:
Base-Base interactions energy: -42.877
where: short stacking energy: -42.877
Base-Backbone interact. energy: -0.051
local terms energy: -52.293770
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -5.328
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: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -85.980308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.980308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.980308 (E_RNA)
where:
Base-Base interactions energy: -28.471
where: short stacking energy: -28.471
Base-Backbone interact. energy: -0.104
local terms energy: -57.405134
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -85.084263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.084263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.084263 (E_RNA)
where:
Base-Base interactions energy: -36.120
where: short stacking energy: -29.783
Base-Backbone interact. energy: -0.067
local terms energy: -48.896879
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -240.941867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.941867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.941867 (E_RNA)
where:
Base-Base interactions energy: -163.467
where: short stacking energy: -66.794
Base-Backbone interact. energy: -0.098
local terms energy: -77.376274
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -201.001475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.001475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.001475 (E_RNA)
where:
Base-Base interactions energy: -141.045
where: short stacking energy: -56.366
Base-Backbone interact. energy: -0.418
local terms energy: -59.539005
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -12.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -223.326971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.326971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.326971 (E_RNA)
where:
Base-Base interactions energy: -142.694
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.108
local terms energy: -80.525054
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -12.403
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: 4, replica: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -178.955259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.955259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.955259 (E_RNA)
where:
Base-Base interactions energy: -111.546
where: short stacking energy: -52.169
Base-Backbone interact. energy: -1.326
local terms energy: -66.082754
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -10.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -193.029275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.029275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.029275 (E_RNA)
where:
Base-Base interactions energy: -130.867
where: short stacking energy: -50.678
Base-Backbone interact. energy: -0.049
local terms energy: -62.112624
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -188.361843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.361843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.361843 (E_RNA)
where:
Base-Base interactions energy: -121.554
where: short stacking energy: -64.696
Base-Backbone interact. energy: -0.154
local terms energy: -66.653855
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -115.158801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.158801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.158801 (E_RNA)
where:
Base-Base interactions energy: -54.774
where: short stacking energy: -53.111
Base-Backbone interact. energy: -0.006
local terms energy: -60.378743
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -89.976687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.976687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.976687 (E_RNA)
where:
Base-Base interactions energy: -31.572
where: short stacking energy: -28.224
Base-Backbone interact. energy: -0.174
local terms energy: -58.230339
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -8.662
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -85.690292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.690292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.690292 (E_RNA)
where:
Base-Base interactions energy: -30.887
where: short stacking energy: -20.142
Base-Backbone interact. energy: -0.018
local terms energy: -54.785215
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -5.017
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: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -82.145521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.145521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.145521 (E_RNA)
where:
Base-Base interactions energy: -33.989
where: short stacking energy: -21.958
Base-Backbone interact. energy: -0.290
local terms energy: -47.865929
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -6.736
flat angles P-C4'-P energy: -11.862
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: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -242.854176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.854176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.854176 (E_RNA)
where:
Base-Base interactions energy: -161.633
where: short stacking energy: -68.089
Base-Backbone interact. energy: -0.295
local terms energy: -80.926758
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -231.222920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.222920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.222920 (E_RNA)
where:
Base-Base interactions energy: -165.270
where: short stacking energy: -59.761
Base-Backbone interact. energy: -0.254
local terms energy: -65.698771
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -13.044
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: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -206.412068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.412068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.412068 (E_RNA)
where:
Base-Base interactions energy: -140.821
where: short stacking energy: -51.768
Base-Backbone interact. energy: -0.413
local terms energy: -65.178857
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -10.961
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: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -205.930270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.930270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.930270 (E_RNA)
where:
Base-Base interactions energy: -137.239
where: short stacking energy: -67.649
Base-Backbone interact. energy: -0.073
local terms energy: -68.618454
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -181.799747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.799747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.799747 (E_RNA)
where:
Base-Base interactions energy: -105.674
where: short stacking energy: -63.002
Base-Backbone interact. energy: -0.169
local terms energy: -75.957134
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -17.270
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: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -176.558946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.558946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.558946 (E_RNA)
where:
Base-Base interactions energy: -107.491
where: short stacking energy: -52.765
Base-Backbone interact. energy: -0.029
local terms energy: -69.038695
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.831
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: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -94.424301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.424301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.424301 (E_RNA)
where:
Base-Base interactions energy: -37.905
where: short stacking energy: -37.905
Base-Backbone interact. energy: -0.004
local terms energy: -56.515520
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -102.866475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.866475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.866475 (E_RNA)
where:
Base-Base interactions energy: -38.754
where: short stacking energy: -38.754
Base-Backbone interact. energy: -0.022
local terms energy: -64.090753
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -83.511951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.511951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.511951 (E_RNA)
where:
Base-Base interactions energy: -30.479
where: short stacking energy: -28.359
Base-Backbone interact. energy: 0.355
local terms energy: -53.388138
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -1.463
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: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -95.598659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.598659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.598659 (E_RNA)
where:
Base-Base interactions energy: -37.418
where: short stacking energy: -22.555
Base-Backbone interact. energy: -1.450
local terms energy: -56.730417
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -237.689588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.689588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.689588 (E_RNA)
where:
Base-Base interactions energy: -165.513
where: short stacking energy: -70.104
Base-Backbone interact. energy: -0.139
local terms energy: -72.037522
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -16.080
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: 6
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -236.160645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.160645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.160645 (E_RNA)
where:
Base-Base interactions energy: -159.741
where: short stacking energy: -73.878
Base-Backbone interact. energy: -0.194
local terms energy: -76.225997
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -205.183512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.183512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.183512 (E_RNA)
where:
Base-Base interactions energy: -143.618
where: short stacking energy: -70.078
Base-Backbone interact. energy: -0.664
local terms energy: -60.901601
where:
bonds (distance) C4'-P energy: -5.989
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -13.390
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: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -193.788904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.788904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.788904 (E_RNA)
where:
Base-Base interactions energy: -124.630
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.089
local terms energy: -69.070085
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -12.320
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: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -186.771547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.771547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.771547 (E_RNA)
where:
Base-Base interactions energy: -119.845
where: short stacking energy: -53.217
Base-Backbone interact. energy: -0.305
local terms energy: -66.621444
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -11.532
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: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -180.478884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.478884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.478884 (E_RNA)
where:
Base-Base interactions energy: -111.519
where: short stacking energy: -49.322
Base-Backbone interact. energy: -0.633
local terms energy: -68.327109
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -92.761620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.761620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.761620 (E_RNA)
where:
Base-Base interactions energy: -39.706
where: short stacking energy: -34.311
Base-Backbone interact. energy: -0.013
local terms energy: -53.042913
where:
bonds (distance) C4'-P energy: -8.529
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -10.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -82.731478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.731478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.731478 (E_RNA)
where:
Base-Base interactions energy: -37.786
where: short stacking energy: -37.786
Base-Backbone interact. energy: -0.337
local terms energy: -44.607935
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -3.770
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -133.392998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.392998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.392998 (E_RNA)
where:
Base-Base interactions energy: -77.998
where: short stacking energy: -35.289
Base-Backbone interact. energy: -1.113
local terms energy: -54.282454
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -8.126
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: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -79.887669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.887669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.887669 (E_RNA)
where:
Base-Base interactions energy: -25.818
where: short stacking energy: -24.275
Base-Backbone interact. energy: -0.543
local terms energy: -53.526666
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -238.810784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.810784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.810784 (E_RNA)
where:
Base-Base interactions energy: -158.036
where: short stacking energy: -68.961
Base-Backbone interact. energy: -0.148
local terms energy: -80.626636
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -214.822253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.822253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.822253 (E_RNA)
where:
Base-Base interactions energy: -143.063
where: short stacking energy: -65.411
Base-Backbone interact. energy: -0.014
local terms energy: -71.745220
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -226.969472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.969472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.969472 (E_RNA)
where:
Base-Base interactions energy: -146.938
where: short stacking energy: -59.318
Base-Backbone interact. energy: -0.143
local terms energy: -79.889323
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -12.661
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: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -180.646678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.646678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.646678 (E_RNA)
where:
Base-Base interactions energy: -112.243
where: short stacking energy: -49.611
Base-Backbone interact. energy: -0.097
local terms energy: -68.305736
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -10.200
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: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -204.720642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.720642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.720642 (E_RNA)
where:
Base-Base interactions energy: -137.348
where: short stacking energy: -52.229
Base-Backbone interact. energy: -0.506
local terms energy: -66.866565
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -175.789448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.789448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.789448 (E_RNA)
where:
Base-Base interactions energy: -113.880
where: short stacking energy: -58.226
Base-Backbone interact. energy: -0.058
local terms energy: -61.851908
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -101.513467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.513467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.513467 (E_RNA)
where:
Base-Base interactions energy: -47.631
where: short stacking energy: -37.869
Base-Backbone interact. energy: -0.274
local terms energy: -53.608087
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -8.544
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: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -90.387145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.387145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.387145 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -29.461
Base-Backbone interact. energy: -0.063
local terms energy: -59.037369
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -83.351856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.351856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.351856 (E_RNA)
where:
Base-Base interactions energy: -29.513
where: short stacking energy: -18.740
Base-Backbone interact. energy: -0.058
local terms energy: -53.780542
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -79.699013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.699013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.699013 (E_RNA)
where:
Base-Base interactions energy: -29.192
where: short stacking energy: -26.924
Base-Backbone interact. energy: -0.147
local terms energy: -50.359756
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: 0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -238.723809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.723809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.723809 (E_RNA)
where:
Base-Base interactions energy: -162.118
where: short stacking energy: -58.322
Base-Backbone interact. energy: -0.651
local terms energy: -75.954532
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -229.058379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.058379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.058379 (E_RNA)
where:
Base-Base interactions energy: -152.411
where: short stacking energy: -76.900
Base-Backbone interact. energy: -0.011
local terms energy: -76.637139
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -202.930531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.930531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.930531 (E_RNA)
where:
Base-Base interactions energy: -129.893
where: short stacking energy: -69.383
Base-Backbone interact. energy: -0.003
local terms energy: -73.034751
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -10.443
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: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -212.862832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.862832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.862832 (E_RNA)
where:
Base-Base interactions energy: -138.274
where: short stacking energy: -62.190
Base-Backbone interact. energy: -0.135
local terms energy: -74.453309
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -18.222
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: 348
Temperature: 1.100000
Total energy: -203.084732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.084732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.084732 (E_RNA)
where:
Base-Base interactions energy: -142.793
where: short stacking energy: -57.272
Base-Backbone interact. energy: -0.112
local terms energy: -60.179393
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -187.115029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.115029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.115029 (E_RNA)
where:
Base-Base interactions energy: -123.542
where: short stacking energy: -55.870
Base-Backbone interact. energy: -0.637
local terms energy: -62.936025
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -13.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -102.766825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.766825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.766825 (E_RNA)
where:
Base-Base interactions energy: -53.456
where: short stacking energy: -33.193
Base-Backbone interact. energy: -0.143
local terms energy: -49.167852
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -9.952
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: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -95.844441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.844441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.844441 (E_RNA)
where:
Base-Base interactions energy: -37.325
where: short stacking energy: -34.060
Base-Backbone interact. energy: -0.239
local terms energy: -58.281285
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -7.727
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: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -93.566722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.566722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.566722 (E_RNA)
where:
Base-Base interactions energy: -40.773
where: short stacking energy: -34.843
Base-Backbone interact. energy: -0.058
local terms energy: -52.735975
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -83.498021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.498021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.498021 (E_RNA)
where:
Base-Base interactions energy: -25.205
where: short stacking energy: -25.205
Base-Backbone interact. energy: 0.183
local terms energy: -58.475447
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -237.145863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.145863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.145863 (E_RNA)
where:
Base-Base interactions energy: -162.811
where: short stacking energy: -65.670
Base-Backbone interact. energy: -0.041
local terms energy: -74.292960
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -11.340
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: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -223.758399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.758399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.758399 (E_RNA)
where:
Base-Base interactions energy: -142.363
where: short stacking energy: -70.855
Base-Backbone interact. energy: -0.030
local terms energy: -81.365951
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -13.327
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: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -211.958451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.958451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.958451 (E_RNA)
where:
Base-Base interactions energy: -140.657
where: short stacking energy: -67.388
Base-Backbone interact. energy: -0.216
local terms energy: -71.085552
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -216.323556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.323556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.323556 (E_RNA)
where:
Base-Base interactions energy: -142.371
where: short stacking energy: -62.075
Base-Backbone interact. energy: -1.208
local terms energy: -72.743977
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -230.429077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.429077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.429077 (E_RNA)
where:
Base-Base interactions energy: -153.127
where: short stacking energy: -72.635
Base-Backbone interact. energy: -1.591
local terms energy: -75.711001
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -12.591
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: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -169.802552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.802552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.802552 (E_RNA)
where:
Base-Base interactions energy: -104.691
where: short stacking energy: -55.717
Base-Backbone interact. energy: -0.125
local terms energy: -64.987061
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -95.233400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.233400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.233400 (E_RNA)
where:
Base-Base interactions energy: -43.087
where: short stacking energy: -36.407
Base-Backbone interact. energy: -0.107
local terms energy: -52.039779
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: 2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -79.426165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.426165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.426165 (E_RNA)
where:
Base-Base interactions energy: -31.569
where: short stacking energy: -31.138
Base-Backbone interact. energy: -0.528
local terms energy: -47.329003
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -90.484005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.484005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.484005 (E_RNA)
where:
Base-Base interactions energy: -40.271
where: short stacking energy: -40.271
Base-Backbone interact. energy: -0.023
local terms energy: -50.189763
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -9.572
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -4.524
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: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -101.919576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.919576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.919576 (E_RNA)
where:
Base-Base interactions energy: -43.379
where: short stacking energy: -28.827
Base-Backbone interact. energy: 0.730
local terms energy: -59.270107
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -238.225965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.225965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.225965 (E_RNA)
where:
Base-Base interactions energy: -156.073
where: short stacking energy: -76.806
Base-Backbone interact. energy: -0.003
local terms energy: -82.149840
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -229.635162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.635162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.635162 (E_RNA)
where:
Base-Base interactions energy: -157.495
where: short stacking energy: -67.359
Base-Backbone interact. energy: -1.055
local terms energy: -71.085992
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -9.573
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: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -226.790302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.790302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.790302 (E_RNA)
where:
Base-Base interactions energy: -151.689
where: short stacking energy: -67.686
Base-Backbone interact. energy: -0.113
local terms energy: -74.987932
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -205.159120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.159120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.159120 (E_RNA)
where:
Base-Base interactions energy: -129.344
where: short stacking energy: -58.669
Base-Backbone interact. energy: -0.001
local terms energy: -75.814027
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -22.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -173.889553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.889553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.889553 (E_RNA)
where:
Base-Base interactions energy: -103.207
where: short stacking energy: -49.880
Base-Backbone interact. energy: 0.286
local terms energy: -70.968320
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -16.453
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: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -183.486483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.486483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.486483 (E_RNA)
where:
Base-Base interactions energy: -111.741
where: short stacking energy: -55.352
Base-Backbone interact. energy: -0.008
local terms energy: -71.738303
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -14.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -102.911203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.911203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.911203 (E_RNA)
where:
Base-Base interactions energy: -44.350
where: short stacking energy: -44.350
Base-Backbone interact. energy: -0.189
local terms energy: -58.372125
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -85.404550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.404550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.404550 (E_RNA)
where:
Base-Base interactions energy: -32.581
where: short stacking energy: -29.316
Base-Backbone interact. energy: -0.099
local terms energy: -52.724461
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -5.741
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: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -87.828907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.828907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.828907 (E_RNA)
where:
Base-Base interactions energy: -38.822
where: short stacking energy: -28.065
Base-Backbone interact. energy: -0.228
local terms energy: -48.778946
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -7.602
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -99.214865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.214865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.214865 (E_RNA)
where:
Base-Base interactions energy: -48.511
where: short stacking energy: -48.511
Base-Backbone interact. energy: 0.110
local terms energy: -50.813338
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -231.846929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.846929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.846929 (E_RNA)
where:
Base-Base interactions energy: -147.299
where: short stacking energy: -76.808
Base-Backbone interact. energy: -0.001
local terms energy: -84.546183
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -231.275985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.275985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.275985 (E_RNA)
where:
Base-Base interactions energy: -151.420
where: short stacking energy: -67.755
Base-Backbone interact. energy: -0.216
local terms energy: -79.639151
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -16.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -239.602268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.602268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.602268 (E_RNA)
where:
Base-Base interactions energy: -169.081
where: short stacking energy: -72.577
Base-Backbone interact. energy: -0.093
local terms energy: -70.428848
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -19.109
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: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -213.454269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.454269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.454269 (E_RNA)
where:
Base-Base interactions energy: -136.023
where: short stacking energy: -72.131
Base-Backbone interact. energy: -0.575
local terms energy: -76.856514
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -21.994
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: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -196.969416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.969416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.969416 (E_RNA)
where:
Base-Base interactions energy: -126.774
where: short stacking energy: -55.142
Base-Backbone interact. energy: -0.088
local terms energy: -70.107460
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -11.557
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: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -204.445871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.445871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.445871 (E_RNA)
where:
Base-Base interactions energy: -133.483
where: short stacking energy: -66.886
Base-Backbone interact. energy: -0.010
local terms energy: -70.953762
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -22.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -97.768909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.768909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.768909 (E_RNA)
where:
Base-Base interactions energy: -38.237
where: short stacking energy: -37.283
Base-Backbone interact. energy: -0.001
local terms energy: -59.530832
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -11.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -85.126674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.126674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.126674 (E_RNA)
where:
Base-Base interactions energy: -35.179
where: short stacking energy: -34.952
Base-Backbone interact. energy: -0.235
local terms energy: -49.713129
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: 0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -95.882162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.882162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.882162 (E_RNA)
where:
Base-Base interactions energy: -33.148
where: short stacking energy: -26.318
Base-Backbone interact. energy: -0.004
local terms energy: -62.729557
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -9.628
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: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -77.057651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.057651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.057651 (E_RNA)
where:
Base-Base interactions energy: -24.069
where: short stacking energy: -23.401
Base-Backbone interact. energy: -0.377
local terms energy: -52.611429
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -228.538525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.538525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.538525 (E_RNA)
where:
Base-Base interactions energy: -147.382
where: short stacking energy: -82.187
Base-Backbone interact. energy: -0.002
local terms energy: -81.154222
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -20.136
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: 352
Temperature: 0.950000
Total energy: -226.416825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.416825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.416825 (E_RNA)
where:
Base-Base interactions energy: -147.320
where: short stacking energy: -68.788
Base-Backbone interact. energy: -0.701
local terms energy: -78.395916
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -209.625600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.625600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.625600 (E_RNA)
where:
Base-Base interactions energy: -140.982
where: short stacking energy: -55.574
Base-Backbone interact. energy: -0.804
local terms energy: -67.839228
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -196.129724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.129724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.129724 (E_RNA)
where:
Base-Base interactions energy: -129.912
where: short stacking energy: -66.495
Base-Backbone interact. energy: -0.339
local terms energy: -65.878634
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -203.673298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.673298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.673298 (E_RNA)
where:
Base-Base interactions energy: -137.796
where: short stacking energy: -59.476
Base-Backbone interact. energy: -0.347
local terms energy: -65.530157
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -13.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -183.726340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.726340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.726340 (E_RNA)
where:
Base-Base interactions energy: -117.394
where: short stacking energy: -49.516
Base-Backbone interact. energy: -1.902
local terms energy: -64.430020
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -10.513
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: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -109.239657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.239657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.239657 (E_RNA)
where:
Base-Base interactions energy: -43.324
where: short stacking energy: -43.324
Base-Backbone interact. energy: -0.007
local terms energy: -65.908635
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -12.444
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: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -91.041623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.041623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.041623 (E_RNA)
where:
Base-Base interactions energy: -31.212
where: short stacking energy: -28.847
Base-Backbone interact. energy: -0.264
local terms energy: -59.566082
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -91.264763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.264763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.264763 (E_RNA)
where:
Base-Base interactions energy: -29.855
where: short stacking energy: -29.855
Base-Backbone interact. energy: -0.156
local terms energy: -61.253317
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -6.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -84.442476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.442476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.442476 (E_RNA)
where:
Base-Base interactions energy: -34.319
where: short stacking energy: -28.353
Base-Backbone interact. energy: -0.227
local terms energy: -49.895988
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -225.406455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.406455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.406455 (E_RNA)
where:
Base-Base interactions energy: -144.135
where: short stacking energy: -79.593
Base-Backbone interact. energy: -0.178
local terms energy: -81.093788
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -205.106901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.106901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.106901 (E_RNA)
where:
Base-Base interactions energy: -140.634
where: short stacking energy: -54.386
Base-Backbone interact. energy: 0.049
local terms energy: -64.521783
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -214.892804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.892804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.892804 (E_RNA)
where:
Base-Base interactions energy: -140.721
where: short stacking energy: -62.245
Base-Backbone interact. energy: -0.403
local terms energy: -73.769684
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -16.610
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: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -212.588298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.588298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.588298 (E_RNA)
where:
Base-Base interactions energy: -138.469
where: short stacking energy: -65.630
Base-Backbone interact. energy: -0.001
local terms energy: -74.117963
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -190.744218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.744218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.744218 (E_RNA)
where:
Base-Base interactions energy: -119.220
where: short stacking energy: -61.704
Base-Backbone interact. energy: -0.161
local terms energy: -71.362613
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -171.463160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.463160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.463160 (E_RNA)
where:
Base-Base interactions energy: -106.909
where: short stacking energy: -49.194
Base-Backbone interact. energy: -0.301
local terms energy: -64.253257
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -136.302206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.302206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.302206 (E_RNA)
where:
Base-Base interactions energy: -79.088
where: short stacking energy: -42.195
Base-Backbone interact. energy: -0.632
local terms energy: -56.582270
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -97.134199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.134199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.134199 (E_RNA)
where:
Base-Base interactions energy: -43.165
where: short stacking energy: -38.022
Base-Backbone interact. energy: -1.035
local terms energy: -52.934296
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -95.234394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.234394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.234394 (E_RNA)
where:
Base-Base interactions energy: -38.920
where: short stacking energy: -26.855
Base-Backbone interact. energy: -0.263
local terms energy: -56.051125
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -1.337
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -100.204148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.204148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.204148 (E_RNA)
where:
Base-Base interactions energy: -51.407
where: short stacking energy: -27.534
Base-Backbone interact. energy: 0.464
local terms energy: -49.261379
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -2.912
tors. eta vs tors. theta energy: -0.434
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: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -224.968268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.968268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.968268 (E_RNA)
where:
Base-Base interactions energy: -138.325
where: short stacking energy: -75.154
Base-Backbone interact. energy: -0.554
local terms energy: -86.089458
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -212.537335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.537335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.537335 (E_RNA)
where:
Base-Base interactions energy: -138.262
where: short stacking energy: -57.345
Base-Backbone interact. energy: -0.869
local terms energy: -73.405781
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -16.241
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: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -213.021070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.021070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.021070 (E_RNA)
where:
Base-Base interactions energy: -138.698
where: short stacking energy: -65.443
Base-Backbone interact. energy: -0.656
local terms energy: -73.666431
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -206.741897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.741897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.741897 (E_RNA)
where:
Base-Base interactions energy: -131.069
where: short stacking energy: -59.722
Base-Backbone interact. energy: -0.069
local terms energy: -75.603499
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -11.612
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: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -199.208604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.208604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.208604 (E_RNA)
where:
Base-Base interactions energy: -120.432
where: short stacking energy: -66.534
Base-Backbone interact. energy: -0.062
local terms energy: -78.714127
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -178.338513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.338513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.338513 (E_RNA)
where:
Base-Base interactions energy: -113.042
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.108
local terms energy: -65.188430
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -5.588
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: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -144.315389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.315389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.315389 (E_RNA)
where:
Base-Base interactions energy: -82.880
where: short stacking energy: -38.134
Base-Backbone interact. energy: -0.852
local terms energy: -60.583384
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -11.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -98.709356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.709356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.709356 (E_RNA)
where:
Base-Base interactions energy: -42.936
where: short stacking energy: -41.300
Base-Backbone interact. energy: -0.001
local terms energy: -55.772708
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -82.761853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.761853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.761853 (E_RNA)
where:
Base-Base interactions energy: -45.425
where: short stacking energy: -29.177
Base-Backbone interact. energy: 2.889
local terms energy: -40.225754
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -5.506
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: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -93.072825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.072825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.072825 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -33.186
Base-Backbone interact. energy: -0.014
local terms energy: -59.873649
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -5.666
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: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -224.003659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.003659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.003659 (E_RNA)
where:
Base-Base interactions energy: -144.536
where: short stacking energy: -55.163
Base-Backbone interact. energy: -0.158
local terms energy: -79.309830
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -214.925391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.925391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.925391 (E_RNA)
where:
Base-Base interactions energy: -142.620
where: short stacking energy: -62.270
Base-Backbone interact. energy: -0.633
local terms energy: -71.673094
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -205.723433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.723433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.723433 (E_RNA)
where:
Base-Base interactions energy: -136.362
where: short stacking energy: -57.714
Base-Backbone interact. energy: -0.160
local terms energy: -69.201969
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -14.624
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: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -203.928423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.928423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.928423 (E_RNA)
where:
Base-Base interactions energy: -138.255
where: short stacking energy: -55.776
Base-Backbone interact. energy: -0.212
local terms energy: -65.462210
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -13.657
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: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -179.589628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.589628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.589628 (E_RNA)
where:
Base-Base interactions energy: -118.853
where: short stacking energy: -59.827
Base-Backbone interact. energy: -0.214
local terms energy: -60.522363
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -10.056
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: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -180.819461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.819461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.819461 (E_RNA)
where:
Base-Base interactions energy: -119.198
where: short stacking energy: -50.266
Base-Backbone interact. energy: 0.037
local terms energy: -61.658918
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -10.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -168.107276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.107276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.107276 (E_RNA)
where:
Base-Base interactions energy: -114.694
where: short stacking energy: -50.484
Base-Backbone interact. energy: -0.028
local terms energy: -53.385359
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -9.160
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -89.889267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.889267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.889267 (E_RNA)
where:
Base-Base interactions energy: -40.317
where: short stacking energy: -28.492
Base-Backbone interact. energy: -1.029
local terms energy: -48.543225
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -89.798554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.798554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.798554 (E_RNA)
where:
Base-Base interactions energy: -30.474
where: short stacking energy: -30.457
Base-Backbone interact. energy: -0.000
local terms energy: -59.324399
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -90.714972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.714972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.714972 (E_RNA)
where:
Base-Base interactions energy: -37.138
where: short stacking energy: -32.124
Base-Backbone interact. energy: -0.245
local terms energy: -53.332632
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -226.386982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.386982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.386982 (E_RNA)
where:
Base-Base interactions energy: -140.550
where: short stacking energy: -73.663
Base-Backbone interact. energy: -0.587
local terms energy: -85.249838
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -21.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -233.222120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.222120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.222120 (E_RNA)
where:
Base-Base interactions energy: -147.877
where: short stacking energy: -59.158
Base-Backbone interact. energy: -0.530
local terms energy: -84.815246
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -235.200559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.200559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.200559 (E_RNA)
where:
Base-Base interactions energy: -159.506
where: short stacking energy: -71.129
Base-Backbone interact. energy: -1.240
local terms energy: -74.453649
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -175.568853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.568853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.568853 (E_RNA)
where:
Base-Base interactions energy: -115.984
where: short stacking energy: -49.863
Base-Backbone interact. energy: -0.057
local terms energy: -59.528583
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -9.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -191.320601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.320601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.320601 (E_RNA)
where:
Base-Base interactions energy: -123.939
where: short stacking energy: -61.351
Base-Backbone interact. energy: -0.074
local terms energy: -67.307744
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -15.390
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: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -170.469001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.469001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.469001 (E_RNA)
where:
Base-Base interactions energy: -97.209
where: short stacking energy: -50.186
Base-Backbone interact. energy: -0.189
local terms energy: -73.070240
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -13.607
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: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -164.130254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.130254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.130254 (E_RNA)
where:
Base-Base interactions energy: -102.114
where: short stacking energy: -56.245
Base-Backbone interact. energy: 0.588
local terms energy: -62.604641
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -9.351
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -119.667282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.667282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.667282 (E_RNA)
where:
Base-Base interactions energy: -65.744
where: short stacking energy: -43.712
Base-Backbone interact. energy: 0.411
local terms energy: -54.334104
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -88.435785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.435785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.435785 (E_RNA)
where:
Base-Base interactions energy: -37.019
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.159
local terms energy: -51.257638
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -7.397
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -114.421187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.421187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.421187 (E_RNA)
where:
Base-Base interactions energy: -54.930
where: short stacking energy: -49.719
Base-Backbone interact. energy: -0.139
local terms energy: -59.351832
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -9.652
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -12.856
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: 357
Temperature: 0.900000
Total energy: -221.630207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.630207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.630207 (E_RNA)
where:
Base-Base interactions energy: -139.593
where: short stacking energy: -80.949
Base-Backbone interact. energy: -0.003
local terms energy: -82.033473
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -21.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -232.662444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.662444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.662444 (E_RNA)
where:
Base-Base interactions energy: -154.628
where: short stacking energy: -58.340
Base-Backbone interact. energy: -0.416
local terms energy: -77.617615
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -232.521243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.521243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.521243 (E_RNA)
where:
Base-Base interactions energy: -157.355
where: short stacking energy: -65.224
Base-Backbone interact. energy: -0.079
local terms energy: -75.087857
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -192.307970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.307970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.307970 (E_RNA)
where:
Base-Base interactions energy: -114.049
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.715
local terms energy: -77.544491
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -13.332
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: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -197.203314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.203314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.203314 (E_RNA)
where:
Base-Base interactions energy: -129.505
where: short stacking energy: -56.950
Base-Backbone interact. energy: -0.051
local terms energy: -67.647050
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -12.039
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: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -190.515538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.515538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.515538 (E_RNA)
where:
Base-Base interactions energy: -119.537
where: short stacking energy: -63.338
Base-Backbone interact. energy: -0.026
local terms energy: -70.952857
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -164.575327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.575327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.575327 (E_RNA)
where:
Base-Base interactions energy: -107.753
where: short stacking energy: -53.392
Base-Backbone interact. energy: -0.099
local terms energy: -56.722772
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -8.449
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: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -92.211488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.211488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.211488 (E_RNA)
where:
Base-Base interactions energy: -36.849
where: short stacking energy: -35.999
Base-Backbone interact. energy: 1.595
local terms energy: -56.957694
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -93.026161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.026161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.026161 (E_RNA)
where:
Base-Base interactions energy: -46.614
where: short stacking energy: -26.623
Base-Backbone interact. energy: 0.056
local terms energy: -46.467805
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: 0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -96.493255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.493255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.493255 (E_RNA)
where:
Base-Base interactions energy: -41.805
where: short stacking energy: -41.805
Base-Backbone interact. energy: -0.073
local terms energy: -54.615639
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -239.362145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.362145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.362145 (E_RNA)
where:
Base-Base interactions energy: -167.609
where: short stacking energy: -68.527
Base-Backbone interact. energy: -0.732
local terms energy: -71.021256
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -208.120505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.120505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.120505 (E_RNA)
where:
Base-Base interactions energy: -133.859
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.239
local terms energy: -74.022059
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -229.274197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.274197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.274197 (E_RNA)
where:
Base-Base interactions energy: -160.437
where: short stacking energy: -70.051
Base-Backbone interact. energy: -0.063
local terms energy: -68.773916
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -202.629769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.629769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.629769 (E_RNA)
where:
Base-Base interactions energy: -134.818
where: short stacking energy: -66.312
Base-Backbone interact. energy: -0.032
local terms energy: -67.780329
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -184.390561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.390561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.390561 (E_RNA)
where:
Base-Base interactions energy: -128.472
where: short stacking energy: -58.545
Base-Backbone interact. energy: -0.187
local terms energy: -55.731565
where:
bonds (distance) C4'-P energy: -6.055
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -170.708075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.708075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.708075 (E_RNA)
where:
Base-Base interactions energy: -101.530
where: short stacking energy: -45.363
Base-Backbone interact. energy: -0.611
local terms energy: -68.567654
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -110.734392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.734392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.734392 (E_RNA)
where:
Base-Base interactions energy: -59.708
where: short stacking energy: -35.795
Base-Backbone interact. energy: -0.682
local terms energy: -50.344548
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -150.481616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.481616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.481616 (E_RNA)
where:
Base-Base interactions energy: -86.029
where: short stacking energy: -48.568
Base-Backbone interact. energy: -0.099
local terms energy: -64.354176
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -9.060
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: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -115.904484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.904484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.904484 (E_RNA)
where:
Base-Base interactions energy: -52.753
where: short stacking energy: -51.480
Base-Backbone interact. energy: -0.045
local terms energy: -63.106816
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -95.491071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.491071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.491071 (E_RNA)
where:
Base-Base interactions energy: -47.964
where: short stacking energy: -20.279
Base-Backbone interact. energy: 0.044
local terms energy: -47.570578
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: 2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -248.870907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.870907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.870907 (E_RNA)
where:
Base-Base interactions energy: -164.123
where: short stacking energy: -64.521
Base-Backbone interact. energy: -0.332
local terms energy: -84.416307
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -240.735434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.735434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.735434 (E_RNA)
where:
Base-Base interactions energy: -162.070
where: short stacking energy: -67.119
Base-Backbone interact. energy: -0.243
local terms energy: -78.421775
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -19.642
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: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -200.460908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.460908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.460908 (E_RNA)
where:
Base-Base interactions energy: -129.298
where: short stacking energy: -57.943
Base-Backbone interact. energy: -0.327
local terms energy: -70.836050
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -194.960302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.960302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.960302 (E_RNA)
where:
Base-Base interactions energy: -124.408
where: short stacking energy: -66.090
Base-Backbone interact. energy: -0.009
local terms energy: -70.543077
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -11.088
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: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -183.835368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.835368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.835368 (E_RNA)
where:
Base-Base interactions energy: -118.228
where: short stacking energy: -48.529
Base-Backbone interact. energy: -0.157
local terms energy: -65.450220
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -181.199815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.199815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.199815 (E_RNA)
where:
Base-Base interactions energy: -110.258
where: short stacking energy: -56.864
Base-Backbone interact. energy: -0.092
local terms energy: -70.849745
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -11.584
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: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -101.309115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.309115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.309115 (E_RNA)
where:
Base-Base interactions energy: -51.206
where: short stacking energy: -31.116
Base-Backbone interact. energy: -0.660
local terms energy: -49.442711
where:
bonds (distance) C4'-P energy: -7.069
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -93.010734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.010734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.010734 (E_RNA)
where:
Base-Base interactions energy: -38.122
where: short stacking energy: -37.358
Base-Backbone interact. energy: -0.294
local terms energy: -54.594959
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -6.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -152.419388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.419388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.419388 (E_RNA)
where:
Base-Base interactions energy: -94.223
where: short stacking energy: -45.096
Base-Backbone interact. energy: -1.523
local terms energy: -56.673799
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -9.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -98.151132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.151132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.151132 (E_RNA)
where:
Base-Base interactions energy: -41.620
where: short stacking energy: -32.439
Base-Backbone interact. energy: -0.155
local terms energy: -56.376148
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -242.727150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.727150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.727150 (E_RNA)
where:
Base-Base interactions energy: -163.329
where: short stacking energy: -69.971
Base-Backbone interact. energy: -0.438
local terms energy: -78.959947
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -19.185
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: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -241.239502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.239502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.239502 (E_RNA)
where:
Base-Base interactions energy: -163.075
where: short stacking energy: -70.962
Base-Backbone interact. energy: -0.839
local terms energy: -77.325153
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -21.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -215.009668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.009668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.009668 (E_RNA)
where:
Base-Base interactions energy: -134.528
where: short stacking energy: -71.608
Base-Backbone interact. energy: -0.002
local terms energy: -80.479668
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -200.583567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.583567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.583567 (E_RNA)
where:
Base-Base interactions energy: -131.153
where: short stacking energy: -58.541
Base-Backbone interact. energy: -0.077
local terms energy: -69.354251
where:
bonds (distance) C4'-P energy: -7.883
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -10.354
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: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -172.387137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.387137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.387137 (E_RNA)
where:
Base-Base interactions energy: -106.885
where: short stacking energy: -51.198
Base-Backbone interact. energy: -0.145
local terms energy: -65.357259
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -12.244
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: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -181.539047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.539047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.539047 (E_RNA)
where:
Base-Base interactions energy: -117.153
where: short stacking energy: -54.903
Base-Backbone interact. energy: -0.057
local terms energy: -64.329252
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -111.281493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.281493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.281493 (E_RNA)
where:
Base-Base interactions energy: -47.730
where: short stacking energy: -47.499
Base-Backbone interact. energy: 0.118
local terms energy: -63.670045
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -90.986199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.986199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.986199 (E_RNA)
where:
Base-Base interactions energy: -43.119
where: short stacking energy: -14.146
Base-Backbone interact. energy: -0.176
local terms energy: -47.691188
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: 2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -154.203197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.203197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.203197 (E_RNA)
where:
Base-Base interactions energy: -91.519
where: short stacking energy: -35.270
Base-Backbone interact. energy: -0.429
local terms energy: -62.254260
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -94.751410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.751410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.751410 (E_RNA)
where:
Base-Base interactions energy: -43.292
where: short stacking energy: -28.953
Base-Backbone interact. energy: -1.196
local terms energy: -50.263011
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: 0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -249.002842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.002842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.002842 (E_RNA)
where:
Base-Base interactions energy: -167.771
where: short stacking energy: -67.627
Base-Backbone interact. energy: -1.182
local terms energy: -80.050175
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -233.157687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.157687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.157687 (E_RNA)
where:
Base-Base interactions energy: -153.528
where: short stacking energy: -64.479
Base-Backbone interact. energy: -0.418
local terms energy: -79.211296
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -20.050
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: 361
Temperature: 1.000000
Total energy: -200.159052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.159052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.159052 (E_RNA)
where:
Base-Base interactions energy: -125.260
where: short stacking energy: -60.357
Base-Backbone interact. energy: -0.355
local terms energy: -74.544082
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -11.653
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: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -172.962776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.962776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.962776 (E_RNA)
where:
Base-Base interactions energy: -105.063
where: short stacking energy: -61.053
Base-Backbone interact. energy: -0.213
local terms energy: -67.687095
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -13.426
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: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -191.773056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.773056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.773056 (E_RNA)
where:
Base-Base interactions energy: -122.263
where: short stacking energy: -58.690
Base-Backbone interact. energy: -0.050
local terms energy: -69.460357
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -11.197
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: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -177.977586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.977586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.977586 (E_RNA)
where:
Base-Base interactions energy: -111.238
where: short stacking energy: -48.682
Base-Backbone interact. energy: -0.149
local terms energy: -66.591128
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -8.669
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: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -119.805689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.805689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.805689 (E_RNA)
where:
Base-Base interactions energy: -53.202
where: short stacking energy: -39.673
Base-Backbone interact. energy: -0.116
local terms energy: -66.487622
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -159.974317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.974317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.974317 (E_RNA)
where:
Base-Base interactions energy: -97.914
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.069
local terms energy: -61.991918
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -83.271466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.271466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.271466 (E_RNA)
where:
Base-Base interactions energy: -29.031
where: short stacking energy: -23.201
Base-Backbone interact. energy: -0.651
local terms energy: -53.589316
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: 1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -81.996321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.996321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.996321 (E_RNA)
where:
Base-Base interactions energy: -34.700
where: short stacking energy: -31.261
Base-Backbone interact. energy: -0.065
local terms energy: -47.231033
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -245.358052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.358052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.358052 (E_RNA)
where:
Base-Base interactions energy: -162.599
where: short stacking energy: -68.460
Base-Backbone interact. energy: -0.778
local terms energy: -81.980515
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -248.005078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.005078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.005078 (E_RNA)
where:
Base-Base interactions energy: -166.514
where: short stacking energy: -73.239
Base-Backbone interact. energy: -0.608
local terms energy: -80.883738
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -22.526
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: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -217.153694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.153694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.153694 (E_RNA)
where:
Base-Base interactions energy: -139.688
where: short stacking energy: -74.243
Base-Backbone interact. energy: -0.005
local terms energy: -77.459789
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -172.530757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.530757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.530757 (E_RNA)
where:
Base-Base interactions energy: -104.215
where: short stacking energy: -54.557
Base-Backbone interact. energy: -1.400
local terms energy: -66.915301
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -205.569546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.569546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.569546 (E_RNA)
where:
Base-Base interactions energy: -132.482
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.031
local terms energy: -73.056351
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -17.886
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: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -172.645065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.645065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.645065 (E_RNA)
where:
Base-Base interactions energy: -112.403
where: short stacking energy: -52.766
Base-Backbone interact. energy: 0.144
local terms energy: -60.385440
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -11.708
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: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -157.642057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.642057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.642057 (E_RNA)
where:
Base-Base interactions energy: -103.935
where: short stacking energy: -49.655
Base-Backbone interact. energy: 0.117
local terms energy: -53.824300
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -6.230
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: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -101.668375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.668375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.668375 (E_RNA)
where:
Base-Base interactions energy: -43.343
where: short stacking energy: -43.343
Base-Backbone interact. energy: -0.428
local terms energy: -57.897366
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -87.419259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.419259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.419259 (E_RNA)
where:
Base-Base interactions energy: -35.233
where: short stacking energy: -35.233
Base-Backbone interact. energy: -0.020
local terms energy: -52.166528
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -76.485867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.485867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.485867 (E_RNA)
where:
Base-Base interactions energy: -32.010
where: short stacking energy: -30.669
Base-Backbone interact. energy: -0.890
local terms energy: -43.585331
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: 0.479
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: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -249.033668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.033668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.033668 (E_RNA)
where:
Base-Base interactions energy: -165.102
where: short stacking energy: -68.833
Base-Backbone interact. energy: -0.175
local terms energy: -83.756786
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -22.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -218.959084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.959084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.959084 (E_RNA)
where:
Base-Base interactions energy: -139.874
where: short stacking energy: -67.662
Base-Backbone interact. energy: -0.038
local terms energy: -79.046804
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -237.092950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.092950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.092950 (E_RNA)
where:
Base-Base interactions energy: -160.173
where: short stacking energy: -64.667
Base-Backbone interact. energy: -0.645
local terms energy: -76.274813
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -20.666
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: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -190.192182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.192182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.192182 (E_RNA)
where:
Base-Base interactions energy: -112.888
where: short stacking energy: -59.524
Base-Backbone interact. energy: -1.366
local terms energy: -75.938020
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -14.621
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: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -171.353926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.353926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.353926 (E_RNA)
where:
Base-Base interactions energy: -104.080
where: short stacking energy: -53.588
Base-Backbone interact. energy: -0.689
local terms energy: -66.585312
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -9.000
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -189.785762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.785762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.785762 (E_RNA)
where:
Base-Base interactions energy: -125.342
where: short stacking energy: -46.839
Base-Backbone interact. energy: 1.062
local terms energy: -65.505957
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -166.463368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.463368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.463368 (E_RNA)
where:
Base-Base interactions energy: -111.553
where: short stacking energy: -50.439
Base-Backbone interact. energy: -0.322
local terms energy: -54.588781
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -101.080418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.080418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.080418 (E_RNA)
where:
Base-Base interactions energy: -37.629
where: short stacking energy: -36.799
Base-Backbone interact. energy: -0.120
local terms energy: -63.330782
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -9.906
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: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -105.559969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.559969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.559969 (E_RNA)
where:
Base-Base interactions energy: -45.934
where: short stacking energy: -44.175
Base-Backbone interact. energy: -0.263
local terms energy: -59.363799
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -81.112820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.112820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.112820 (E_RNA)
where:
Base-Base interactions energy: -30.504
where: short stacking energy: -29.660
Base-Backbone interact. energy: -0.644
local terms energy: -49.964606
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -239.071330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.071330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.071330 (E_RNA)
where:
Base-Base interactions energy: -162.117
where: short stacking energy: -62.198
Base-Backbone interact. energy: -0.382
local terms energy: -76.573065
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -12.517
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: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -214.262590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.262590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.262590 (E_RNA)
where:
Base-Base interactions energy: -137.818
where: short stacking energy: -68.089
Base-Backbone interact. energy: -0.001
local terms energy: -76.443720
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -10.323
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: 3, replica: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -228.014034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.014034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.014034 (E_RNA)
where:
Base-Base interactions energy: -155.731
where: short stacking energy: -64.483
Base-Backbone interact. energy: -0.203
local terms energy: -72.080112
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -11.858
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: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -199.678748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.678748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.678748 (E_RNA)
where:
Base-Base interactions energy: -128.451
where: short stacking energy: -68.300
Base-Backbone interact. energy: 0.488
local terms energy: -71.716522
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -16.516
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: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -197.338929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.338929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.338929 (E_RNA)
where:
Base-Base interactions energy: -129.839
where: short stacking energy: -57.889
Base-Backbone interact. energy: -0.721
local terms energy: -66.779042
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -159.288670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.288670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.288670 (E_RNA)
where:
Base-Base interactions energy: -98.722
where: short stacking energy: -48.510
Base-Backbone interact. energy: -0.208
local terms energy: -60.359428
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -8.842
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: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -176.434955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.434955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.434955 (E_RNA)
where:
Base-Base interactions energy: -108.701
where: short stacking energy: -60.228
Base-Backbone interact. energy: -0.100
local terms energy: -67.633685
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -90.320234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.320234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.320234 (E_RNA)
where:
Base-Base interactions energy: -36.928
where: short stacking energy: -31.432
Base-Backbone interact. energy: 0.222
local terms energy: -53.614165
where:
bonds (distance) C4'-P energy: -8.701
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -107.024779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.024779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.024779 (E_RNA)
where:
Base-Base interactions energy: -54.294
where: short stacking energy: -34.699
Base-Backbone interact. energy: -0.001
local terms energy: -52.730150
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -7.542
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: 364
Temperature: 1.350000
Total energy: -77.279321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.279321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.279321 (E_RNA)
where:
Base-Base interactions energy: -30.441
where: short stacking energy: -25.288
Base-Backbone interact. energy: 1.341
local terms energy: -48.179969
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -240.910066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.910066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.910066 (E_RNA)
where:
Base-Base interactions energy: -165.539
where: short stacking energy: -74.228
Base-Backbone interact. energy: -0.668
local terms energy: -74.703001
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -231.141758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.141758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.141758 (E_RNA)
where:
Base-Base interactions energy: -151.295
where: short stacking energy: -73.768
Base-Backbone interact. energy: -0.034
local terms energy: -79.813244
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -18.897
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: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -211.730094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.730094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.730094 (E_RNA)
where:
Base-Base interactions energy: -137.734
where: short stacking energy: -66.281
Base-Backbone interact. energy: -0.181
local terms energy: -73.814507
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -18.390
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: 365
Temperature: 1.050000
Total energy: -194.347074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.347074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.347074 (E_RNA)
where:
Base-Base interactions energy: -129.389
where: short stacking energy: -51.693
Base-Backbone interact. energy: -0.164
local terms energy: -64.794898
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -15.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -182.535136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.535136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.535136 (E_RNA)
where:
Base-Base interactions energy: -113.438
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.123
local terms energy: -68.974977
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -10.570
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: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -168.242129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.242129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.242129 (E_RNA)
where:
Base-Base interactions energy: -103.040
where: short stacking energy: -49.309
Base-Backbone interact. energy: -0.403
local terms energy: -64.799679
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -169.642851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.642851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.642851 (E_RNA)
where:
Base-Base interactions energy: -112.152
where: short stacking energy: -54.160
Base-Backbone interact. energy: -0.052
local terms energy: -57.438842
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -86.448922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.448922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.448922 (E_RNA)
where:
Base-Base interactions energy: -30.794
where: short stacking energy: -24.311
Base-Backbone interact. energy: -0.296
local terms energy: -55.359186
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: 4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -84.847742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.847742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.847742 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -31.704
Base-Backbone interact. energy: -0.312
local terms energy: -48.588842
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -83.586306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.586306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.586306 (E_RNA)
where:
Base-Base interactions energy: -30.744
where: short stacking energy: -30.744
Base-Backbone interact. energy: -0.322
local terms energy: -52.519875
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -239.924666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.924666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.924666 (E_RNA)
where:
Base-Base interactions energy: -151.742
where: short stacking energy: -80.412
Base-Backbone interact. energy: -0.539
local terms energy: -87.643512
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -22.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -236.982645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.982645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.982645 (E_RNA)
where:
Base-Base interactions energy: -164.901
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.380
local terms energy: -71.701551
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -213.638960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.638960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.638960 (E_RNA)
where:
Base-Base interactions energy: -140.811
where: short stacking energy: -69.167
Base-Backbone interact. energy: 0.369
local terms energy: -73.197244
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -203.883822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.883822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.883822 (E_RNA)
where:
Base-Base interactions energy: -130.071
where: short stacking energy: -71.759
Base-Backbone interact. energy: -0.012
local terms energy: -73.800433
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -13.063
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: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -176.114504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.114504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.114504 (E_RNA)
where:
Base-Base interactions energy: -106.567
where: short stacking energy: -55.868
Base-Backbone interact. energy: -0.082
local terms energy: -69.466098
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -12.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -167.494286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.494286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.494286 (E_RNA)
where:
Base-Base interactions energy: -108.505
where: short stacking energy: -55.007
Base-Backbone interact. energy: -0.346
local terms energy: -58.643017
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -12.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -168.509827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.509827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.509827 (E_RNA)
where:
Base-Base interactions energy: -105.762
where: short stacking energy: -56.586
Base-Backbone interact. energy: -0.159
local terms energy: -62.587925
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -8.263
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: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -84.933920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.933920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.933920 (E_RNA)
where:
Base-Base interactions energy: -31.749
where: short stacking energy: -29.137
Base-Backbone interact. energy: -0.035
local terms energy: -53.150531
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -122.914271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.914271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.914271 (E_RNA)
where:
Base-Base interactions energy: -57.858
where: short stacking energy: -34.271
Base-Backbone interact. energy: -0.203
local terms energy: -64.852753
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -10.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -88.686315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.686315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.686315 (E_RNA)
where:
Base-Base interactions energy: -37.554
where: short stacking energy: -28.406
Base-Backbone interact. energy: -0.121
local terms energy: -51.010721
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -5.228
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: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -239.767091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.767091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.767091 (E_RNA)
where:
Base-Base interactions energy: -167.483
where: short stacking energy: -70.357
Base-Backbone interact. energy: -0.343
local terms energy: -71.941188
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -230.003722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.003722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.003722 (E_RNA)
where:
Base-Base interactions energy: -151.419
where: short stacking energy: -68.364
Base-Backbone interact. energy: -0.247
local terms energy: -78.337748
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -22.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -226.327417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.327417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.327417 (E_RNA)
where:
Base-Base interactions energy: -153.200
where: short stacking energy: -64.433
Base-Backbone interact. energy: -0.126
local terms energy: -73.001117
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -18.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -205.380985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.380985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.380985 (E_RNA)
where:
Base-Base interactions energy: -128.804
where: short stacking energy: -62.545
Base-Backbone interact. energy: -0.001
local terms energy: -76.575664
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -17.361
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: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -208.513044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.513044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.513044 (E_RNA)
where:
Base-Base interactions energy: -133.621
where: short stacking energy: -63.049
Base-Backbone interact. energy: -0.467
local terms energy: -74.425001
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -169.559703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.559703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.559703 (E_RNA)
where:
Base-Base interactions energy: -102.479
where: short stacking energy: -51.765
Base-Backbone interact. energy: -2.413
local terms energy: -64.667532
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -167.097604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.097604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.097604 (E_RNA)
where:
Base-Base interactions energy: -102.022
where: short stacking energy: -48.798
Base-Backbone interact. energy: -0.723
local terms energy: -64.352326
where:
bonds (distance) C4'-P energy: -7.685
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -10.181
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: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -146.406299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.406299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.406299 (E_RNA)
where:
Base-Base interactions energy: -96.535
where: short stacking energy: -56.108
Base-Backbone interact. energy: -0.462
local terms energy: -49.409649
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -0.001
tors. eta vs tors. theta energy: -9.415
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: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -98.224842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.224842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.224842 (E_RNA)
where:
Base-Base interactions energy: -49.289
where: short stacking energy: -41.737
Base-Backbone interact. energy: -0.236
local terms energy: -48.700482
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -96.916239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.916239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.916239 (E_RNA)
where:
Base-Base interactions energy: -43.461
where: short stacking energy: -29.961
Base-Backbone interact. energy: -0.013
local terms energy: -53.442146
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -234.826426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.826426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.826426 (E_RNA)
where:
Base-Base interactions energy: -159.680
where: short stacking energy: -71.934
Base-Backbone interact. energy: -0.004
local terms energy: -75.142149
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -229.479989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.479989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.479989 (E_RNA)
where:
Base-Base interactions energy: -156.278
where: short stacking energy: -66.303
Base-Backbone interact. energy: -0.512
local terms energy: -72.690304
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -8.226
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: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -224.492395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.492395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.492395 (E_RNA)
where:
Base-Base interactions energy: -148.391
where: short stacking energy: -68.614
Base-Backbone interact. energy: -0.033
local terms energy: -76.068699
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -10.060
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: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -197.550439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.550439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.550439 (E_RNA)
where:
Base-Base interactions energy: -124.649
where: short stacking energy: -60.321
Base-Backbone interact. energy: -0.058
local terms energy: -72.843437
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -17.665
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: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -195.247138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.247138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.247138 (E_RNA)
where:
Base-Base interactions energy: -124.419
where: short stacking energy: -55.426
Base-Backbone interact. energy: -0.673
local terms energy: -70.155106
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -11.568
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: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -154.360595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.360595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.360595 (E_RNA)
where:
Base-Base interactions energy: -96.808
where: short stacking energy: -41.409
Base-Backbone interact. energy: -0.416
local terms energy: -57.137213
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -183.498153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.498153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.498153 (E_RNA)
where:
Base-Base interactions energy: -115.669
where: short stacking energy: -51.980
Base-Backbone interact. energy: -0.603
local terms energy: -67.225551
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -157.985508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.985508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.985508 (E_RNA)
where:
Base-Base interactions energy: -93.621
where: short stacking energy: -57.806
Base-Backbone interact. energy: -0.097
local terms energy: -64.267780
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -88.035779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.035779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.035779 (E_RNA)
where:
Base-Base interactions energy: -42.064
where: short stacking energy: -22.664
Base-Backbone interact. energy: -0.601
local terms energy: -45.371251
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: 3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -85.221365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.221365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.221365 (E_RNA)
where:
Base-Base interactions energy: -40.069
where: short stacking energy: -32.938
Base-Backbone interact. energy: 2.560
local terms energy: -47.712299
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -5.012
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -215.839444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.839444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.839444 (E_RNA)
where:
Base-Base interactions energy: -134.972
where: short stacking energy: -63.568
Base-Backbone interact. energy: -0.109
local terms energy: -80.758766
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -21.249
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: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -236.845267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.845267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.845267 (E_RNA)
where:
Base-Base interactions energy: -158.724
where: short stacking energy: -69.708
Base-Backbone interact. energy: -1.170
local terms energy: -76.951459
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -8.701
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: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -228.343547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.343547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.343547 (E_RNA)
where:
Base-Base interactions energy: -149.798
where: short stacking energy: -67.013
Base-Backbone interact. energy: -0.262
local terms energy: -78.284443
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -201.241170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.241170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.241170 (E_RNA)
where:
Base-Base interactions energy: -128.056
where: short stacking energy: -67.428
Base-Backbone interact. energy: -1.108
local terms energy: -72.077532
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -19.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -178.656436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.656436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.656436 (E_RNA)
where:
Base-Base interactions energy: -115.585
where: short stacking energy: -65.996
Base-Backbone interact. energy: -0.218
local terms energy: -62.853193
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -15.737
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: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -183.848099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.848099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.848099 (E_RNA)
where:
Base-Base interactions energy: -121.285
where: short stacking energy: -55.580
Base-Backbone interact. energy: -0.765
local terms energy: -61.797974
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -11.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -168.194293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.194293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.194293 (E_RNA)
where:
Base-Base interactions energy: -109.610
where: short stacking energy: -52.801
Base-Backbone interact. energy: -0.916
local terms energy: -57.668255
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -8.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -156.293547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.293547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.293547 (E_RNA)
where:
Base-Base interactions energy: -93.811
where: short stacking energy: -45.174
Base-Backbone interact. energy: -0.144
local terms energy: -62.338078
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -87.027867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.027867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.027867 (E_RNA)
where:
Base-Base interactions energy: -27.435
where: short stacking energy: -25.892
Base-Backbone interact. energy: -1.402
local terms energy: -58.190826
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: 0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -103.552914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.552914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.552914 (E_RNA)
where:
Base-Base interactions energy: -52.043
where: short stacking energy: -46.302
Base-Backbone interact. energy: -0.171
local terms energy: -51.339010
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -8.453
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -10.788
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: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -239.542577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.542577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.542577 (E_RNA)
where:
Base-Base interactions energy: -163.735
where: short stacking energy: -74.601
Base-Backbone interact. energy: -0.107
local terms energy: -75.700270
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -11.150
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: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -226.130384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.130384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.130384 (E_RNA)
where:
Base-Base interactions energy: -142.015
where: short stacking energy: -76.435
Base-Backbone interact. energy: -0.001
local terms energy: -84.115158
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -10.474
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: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -187.894813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.894813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.894813 (E_RNA)
where:
Base-Base interactions energy: -125.403
where: short stacking energy: -51.041
Base-Backbone interact. energy: -0.259
local terms energy: -62.232774
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -9.388
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: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -222.585933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.585933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.585933 (E_RNA)
where:
Base-Base interactions energy: -145.244
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.208
local terms energy: -77.133979
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -12.884
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: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -199.549427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.549427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.549427 (E_RNA)
where:
Base-Base interactions energy: -135.356
where: short stacking energy: -57.283
Base-Backbone interact. energy: -0.136
local terms energy: -64.056953
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -163.801491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.801491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.801491 (E_RNA)
where:
Base-Base interactions energy: -100.848
where: short stacking energy: -50.372
Base-Backbone interact. energy: -0.183
local terms energy: -62.770217
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -6.227
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: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -152.226860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.226860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.226860 (E_RNA)
where:
Base-Base interactions energy: -93.029
where: short stacking energy: -49.104
Base-Backbone interact. energy: -0.161
local terms energy: -59.037486
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -9.234
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -11.164
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: 8, replica: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -170.240865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.240865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.240865 (E_RNA)
where:
Base-Base interactions energy: -102.524
where: short stacking energy: -52.201
Base-Backbone interact. energy: -2.317
local terms energy: -65.400372
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -94.138901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.138901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.138901 (E_RNA)
where:
Base-Base interactions energy: -38.549
where: short stacking energy: -24.346
Base-Backbone interact. energy: -0.795
local terms energy: -54.795007
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -89.409218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.409218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.409218 (E_RNA)
where:
Base-Base interactions energy: -35.834
where: short stacking energy: -28.552
Base-Backbone interact. energy: -0.009
local terms energy: -53.566242
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -238.482821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.482821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.482821 (E_RNA)
where:
Base-Base interactions energy: -163.850
where: short stacking energy: -67.177
Base-Backbone interact. energy: -0.370
local terms energy: -74.262818
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -16.709
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: 371
Temperature: 0.950000
Total energy: -219.672749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.672749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.672749 (E_RNA)
where:
Base-Base interactions energy: -137.918
where: short stacking energy: -71.032
Base-Backbone interact. energy: -0.007
local terms energy: -81.747762
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -13.410
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: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -198.657543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.657543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.657543 (E_RNA)
where:
Base-Base interactions energy: -127.881
where: short stacking energy: -45.203
Base-Backbone interact. energy: -0.908
local terms energy: -69.868655
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -203.764555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.764555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.764555 (E_RNA)
where:
Base-Base interactions energy: -136.759
where: short stacking energy: -58.734
Base-Backbone interact. energy: 0.018
local terms energy: -67.023556
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -13.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -196.028526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.028526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.028526 (E_RNA)
where:
Base-Base interactions energy: -133.538
where: short stacking energy: -52.755
Base-Backbone interact. energy: -0.327
local terms energy: -62.163925
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -10.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -164.266273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.266273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.266273 (E_RNA)
where:
Base-Base interactions energy: -100.656
where: short stacking energy: -55.228
Base-Backbone interact. energy: -0.214
local terms energy: -63.395546
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -9.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -160.453784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.453784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.453784 (E_RNA)
where:
Base-Base interactions energy: -104.623
where: short stacking energy: -53.196
Base-Backbone interact. energy: 0.182
local terms energy: -56.013048
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -176.401690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.401690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.401690 (E_RNA)
where:
Base-Base interactions energy: -118.317
where: short stacking energy: -60.338
Base-Backbone interact. energy: -0.069
local terms energy: -58.016112
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -7.862
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -9.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -94.000538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.000538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.000538 (E_RNA)
where:
Base-Base interactions energy: -44.165
where: short stacking energy: -44.165
Base-Backbone interact. energy: -0.032
local terms energy: -49.803529
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -2.587
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -95.142572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.142572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.142572 (E_RNA)
where:
Base-Base interactions energy: -43.678
where: short stacking energy: -35.309
Base-Backbone interact. energy: -0.016
local terms energy: -51.448277
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -224.017420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.017420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.017420 (E_RNA)
where:
Base-Base interactions energy: -149.515
where: short stacking energy: -79.320
Base-Backbone interact. energy: -0.144
local terms energy: -74.357512
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -12.388
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: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -231.068375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.068375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.068375 (E_RNA)
where:
Base-Base interactions energy: -154.964
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.092
local terms energy: -76.012750
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -11.929
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: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -210.572264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.572264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.572264 (E_RNA)
where:
Base-Base interactions energy: -142.000
where: short stacking energy: -63.227
Base-Backbone interact. energy: -0.100
local terms energy: -68.472451
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -12.945
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: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -190.079455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.079455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.079455 (E_RNA)
where:
Base-Base interactions energy: -117.661
where: short stacking energy: -54.792
Base-Backbone interact. energy: -0.434
local terms energy: -71.984322
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -10.961
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: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -199.343304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.343304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.343304 (E_RNA)
where:
Base-Base interactions energy: -123.105
where: short stacking energy: -52.537
Base-Backbone interact. energy: -1.524
local terms energy: -74.713802
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -11.089
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: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -175.596124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.596124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.596124 (E_RNA)
where:
Base-Base interactions energy: -116.471
where: short stacking energy: -61.171
Base-Backbone interact. energy: -0.097
local terms energy: -59.028492
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -157.979961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.979961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.979961 (E_RNA)
where:
Base-Base interactions energy: -92.477
where: short stacking energy: -53.311
Base-Backbone interact. energy: -0.101
local terms energy: -65.401669
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -12.326
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: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -157.708456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.708456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.708456 (E_RNA)
where:
Base-Base interactions energy: -95.869
where: short stacking energy: -45.460
Base-Backbone interact. energy: -0.499
local terms energy: -61.340298
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -12.075
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: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -91.585024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.585024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.585024 (E_RNA)
where:
Base-Base interactions energy: -44.227
where: short stacking energy: -39.892
Base-Backbone interact. energy: 0.209
local terms energy: -47.566906
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -92.007090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.007090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.007090 (E_RNA)
where:
Base-Base interactions energy: -40.653
where: short stacking energy: -35.623
Base-Backbone interact. energy: -0.043
local terms energy: -51.311415
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -0.623
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -226.283106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.283106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.283106 (E_RNA)
where:
Base-Base interactions energy: -147.964
where: short stacking energy: -81.998
Base-Backbone interact. energy: -0.264
local terms energy: -78.054492
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -240.256688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.256688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.256688 (E_RNA)
where:
Base-Base interactions energy: -170.695
where: short stacking energy: -69.530
Base-Backbone interact. energy: -0.681
local terms energy: -68.881174
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -22.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -210.393819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.393819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.393819 (E_RNA)
where:
Base-Base interactions energy: -144.353
where: short stacking energy: -60.613
Base-Backbone interact. energy: -0.311
local terms energy: -65.730088
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -179.373938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.373938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.373938 (E_RNA)
where:
Base-Base interactions energy: -108.268
where: short stacking energy: -57.145
Base-Backbone interact. energy: -0.281
local terms energy: -70.825682
where:
bonds (distance) C4'-P energy: -9.696
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -15.549
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: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -183.635556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.635556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.635556 (E_RNA)
where:
Base-Base interactions energy: -118.403
where: short stacking energy: -53.978
Base-Backbone interact. energy: -1.327
local terms energy: -63.905875
where:
bonds (distance) C4'-P energy: -7.573
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -177.042236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.042236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.042236 (E_RNA)
where:
Base-Base interactions energy: -118.226
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.108
local terms energy: -58.708364
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -163.910898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.910898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.910898 (E_RNA)
where:
Base-Base interactions energy: -97.224
where: short stacking energy: -48.696
Base-Backbone interact. energy: -0.218
local terms energy: -66.469149
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -10.692
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: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -152.385068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.385068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.385068 (E_RNA)
where:
Base-Base interactions energy: -89.505
where: short stacking energy: -46.635
Base-Backbone interact. energy: 0.035
local terms energy: -62.914861
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -89.274401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.274401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.274401 (E_RNA)
where:
Base-Base interactions energy: -30.854
where: short stacking energy: -29.725
Base-Backbone interact. energy: 0.461
local terms energy: -58.881799
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -93.385295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.385295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.385295 (E_RNA)
where:
Base-Base interactions energy: -50.402
where: short stacking energy: -34.039
Base-Backbone interact. energy: 0.120
local terms energy: -43.102938
where:
bonds (distance) C4'-P energy: -8.723
bonds (distance) P-C4' energy: -7.692
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -236.544549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.544549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.544549 (E_RNA)
where:
Base-Base interactions energy: -159.474
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.187
local terms energy: -76.883426
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -225.580028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.580028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.580028 (E_RNA)
where:
Base-Base interactions energy: -146.061
where: short stacking energy: -79.808
Base-Backbone interact. energy: -0.000
local terms energy: -79.518617
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -7.576
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: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -219.311883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.311883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.311883 (E_RNA)
where:
Base-Base interactions energy: -144.907
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.036
local terms energy: -74.368917
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -193.066516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.066516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.066516 (E_RNA)
where:
Base-Base interactions energy: -122.452
where: short stacking energy: -67.447
Base-Backbone interact. energy: -2.041
local terms energy: -68.573752
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -9.306
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: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -170.020704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.020704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.020704 (E_RNA)
where:
Base-Base interactions energy: -106.620
where: short stacking energy: -54.974
Base-Backbone interact. energy: -0.084
local terms energy: -63.316391
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -193.240547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.240547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.240547 (E_RNA)
where:
Base-Base interactions energy: -122.743
where: short stacking energy: -69.691
Base-Backbone interact. energy: 0.036
local terms energy: -70.533268
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -164.569442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.569442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.569442 (E_RNA)
where:
Base-Base interactions energy: -98.769
where: short stacking energy: -42.371
Base-Backbone interact. energy: -0.049
local terms energy: -65.751503
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -147.722236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.722236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.722236 (E_RNA)
where:
Base-Base interactions energy: -86.189
where: short stacking energy: -37.850
Base-Backbone interact. energy: -0.053
local terms energy: -61.479738
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -7.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -84.359238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.359238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.359238 (E_RNA)
where:
Base-Base interactions energy: -37.799
where: short stacking energy: -37.707
Base-Backbone interact. energy: -0.121
local terms energy: -46.439143
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -8.468
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -87.124695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.124695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.124695 (E_RNA)
where:
Base-Base interactions energy: -39.867
where: short stacking energy: -38.889
Base-Backbone interact. energy: -1.028
local terms energy: -46.229821
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -2.967
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -234.841263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.841263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.841263 (E_RNA)
where:
Base-Base interactions energy: -154.171
where: short stacking energy: -84.806
Base-Backbone interact. energy: -0.999
local terms energy: -79.670718
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -23.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -226.050433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.050433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.050433 (E_RNA)
where:
Base-Base interactions energy: -150.466
where: short stacking energy: -64.111
Base-Backbone interact. energy: -0.295
local terms energy: -75.289302
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -8.828
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: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -216.476103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.476103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.476103 (E_RNA)
where:
Base-Base interactions energy: -138.762
where: short stacking energy: -72.398
Base-Backbone interact. energy: -0.002
local terms energy: -77.712691
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -184.322466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.322466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.322466 (E_RNA)
where:
Base-Base interactions energy: -117.378
where: short stacking energy: -65.894
Base-Backbone interact. energy: -1.020
local terms energy: -65.924472
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -176.614013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.614013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.614013 (E_RNA)
where:
Base-Base interactions energy: -107.229
where: short stacking energy: -52.212
Base-Backbone interact. energy: -0.726
local terms energy: -68.658345
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -156.132374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.132374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.132374 (E_RNA)
where:
Base-Base interactions energy: -92.840
where: short stacking energy: -51.373
Base-Backbone interact. energy: 1.258
local terms energy: -64.550605
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -10.386
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: 7, replica: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -177.418918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.418918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.418918 (E_RNA)
where:
Base-Base interactions energy: -109.923
where: short stacking energy: -56.347
Base-Backbone interact. energy: -0.115
local terms energy: -67.380604
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -154.578426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.578426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.578426 (E_RNA)
where:
Base-Base interactions energy: -96.777
where: short stacking energy: -52.929
Base-Backbone interact. energy: -0.180
local terms energy: -57.621161
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -8.509
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: 375
Temperature: 1.300000
Total energy: -93.756500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.756500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.756500 (E_RNA)
where:
Base-Base interactions energy: -43.648
where: short stacking energy: -32.837
Base-Backbone interact. energy: 0.268
local terms energy: -50.376421
where:
bonds (distance) C4'-P energy: -7.795
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -10.926
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: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -83.313003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.313003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.313003 (E_RNA)
where:
Base-Base interactions energy: -36.398
where: short stacking energy: -36.398
Base-Backbone interact. energy: -0.076
local terms energy: -46.839763
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -8.801
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -235.864477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.864477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.864477 (E_RNA)
where:
Base-Base interactions energy: -161.135
where: short stacking energy: -67.468
Base-Backbone interact. energy: -0.115
local terms energy: -74.614415
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -17.046
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: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -220.615059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.615059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.615059 (E_RNA)
where:
Base-Base interactions energy: -160.097
where: short stacking energy: -66.074
Base-Backbone interact. energy: -0.595
local terms energy: -59.922659
where:
bonds (distance) C4'-P energy: -5.378
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -205.885181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.885181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.885181 (E_RNA)
where:
Base-Base interactions energy: -130.322
where: short stacking energy: -65.526
Base-Backbone interact. energy: 0.579
local terms energy: -76.142383
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -199.593304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.593304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.593304 (E_RNA)
where:
Base-Base interactions energy: -125.188
where: short stacking energy: -64.887
Base-Backbone interact. energy: -0.027
local terms energy: -74.378815
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -183.430108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.430108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.430108 (E_RNA)
where:
Base-Base interactions energy: -114.705
where: short stacking energy: -50.138
Base-Backbone interact. energy: -0.601
local terms energy: -68.124424
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -11.403
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: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -167.650143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.650143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.650143 (E_RNA)
where:
Base-Base interactions energy: -102.725
where: short stacking energy: -40.369
Base-Backbone interact. energy: -0.620
local terms energy: -64.305199
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -181.130725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.130725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.130725 (E_RNA)
where:
Base-Base interactions energy: -118.376
where: short stacking energy: -51.273
Base-Backbone interact. energy: -0.005
local terms energy: -62.749922
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -6.568
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: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -161.131144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.131144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.131144 (E_RNA)
where:
Base-Base interactions energy: -99.043
where: short stacking energy: -51.216
Base-Backbone interact. energy: 0.694
local terms energy: -62.782595
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -15.046
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: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -87.980337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.980337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.980337 (E_RNA)
where:
Base-Base interactions energy: -36.829
where: short stacking energy: -33.356
Base-Backbone interact. energy: -0.067
local terms energy: -51.085063
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -96.657236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.657236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.657236 (E_RNA)
where:
Base-Base interactions energy: -39.058
where: short stacking energy: -31.515
Base-Backbone interact. energy: -0.134
local terms energy: -57.465687
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -239.859193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.859193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.859193 (E_RNA)
where:
Base-Base interactions energy: -165.722
where: short stacking energy: -66.035
Base-Backbone interact. energy: -0.482
local terms energy: -73.654378
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -18.646
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: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -234.073478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.073478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.073478 (E_RNA)
where:
Base-Base interactions energy: -152.145
where: short stacking energy: -67.399
Base-Backbone interact. energy: -0.923
local terms energy: -81.005884
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -21.284
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: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -203.420722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.420722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.420722 (E_RNA)
where:
Base-Base interactions energy: -135.982
where: short stacking energy: -58.992
Base-Backbone interact. energy: -0.232
local terms energy: -67.207310
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -8.089
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -200.041085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.041085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.041085 (E_RNA)
where:
Base-Base interactions energy: -129.914
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.002
local terms energy: -70.125791
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -17.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -181.364401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.364401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.364401 (E_RNA)
where:
Base-Base interactions energy: -112.499
where: short stacking energy: -55.211
Base-Backbone interact. energy: -0.041
local terms energy: -68.824736
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -10.042
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: 6, replica: 2
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -161.889188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.889188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.889188 (E_RNA)
where:
Base-Base interactions energy: -94.091
where: short stacking energy: -45.123
Base-Backbone interact. energy: -0.062
local terms energy: -67.735687
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -170.108099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.108099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.108099 (E_RNA)
where:
Base-Base interactions energy: -112.763
where: short stacking energy: -45.278
Base-Backbone interact. energy: -0.129
local terms energy: -57.215592
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -172.619625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.619625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.619625 (E_RNA)
where:
Base-Base interactions energy: -117.969
where: short stacking energy: -48.759
Base-Backbone interact. energy: -0.160
local terms energy: -54.490722
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -11.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -86.654685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.654685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.654685 (E_RNA)
where:
Base-Base interactions energy: -29.839
where: short stacking energy: -30.239
Base-Backbone interact. energy: -0.807
local terms energy: -56.009167
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -88.504612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.504612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.504612 (E_RNA)
where:
Base-Base interactions energy: -37.071
where: short stacking energy: -30.035
Base-Backbone interact. energy: -0.152
local terms energy: -51.282195
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -240.748661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.748661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.748661 (E_RNA)
where:
Base-Base interactions energy: -156.726
where: short stacking energy: -86.074
Base-Backbone interact. energy: -0.778
local terms energy: -83.244332
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -22.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -240.203140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.203140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.203140 (E_RNA)
where:
Base-Base interactions energy: -163.559
where: short stacking energy: -71.037
Base-Backbone interact. energy: -0.179
local terms energy: -76.465569
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -210.359446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.359446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.359446 (E_RNA)
where:
Base-Base interactions energy: -132.604
where: short stacking energy: -69.104
Base-Backbone interact. energy: -0.009
local terms energy: -77.747230
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -11.503
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: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -209.618696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.618696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.618696 (E_RNA)
where:
Base-Base interactions energy: -133.396
where: short stacking energy: -61.695
Base-Backbone interact. energy: -0.606
local terms energy: -75.616846
where:
bonds (distance) C4'-P energy: -18.486
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -196.022067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.022067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.022067 (E_RNA)
where:
Base-Base interactions energy: -122.462
where: short stacking energy: -62.075
Base-Backbone interact. energy: -0.151
local terms energy: -73.409186
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -11.876
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: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -158.325327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.325327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.325327 (E_RNA)
where:
Base-Base interactions energy: -90.138
where: short stacking energy: -42.421
Base-Backbone interact. energy: -1.201
local terms energy: -66.987076
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -7.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -179.721968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.721968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.721968 (E_RNA)
where:
Base-Base interactions energy: -122.964
where: short stacking energy: -54.230
Base-Backbone interact. energy: 3.543
local terms energy: -60.301645
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -175.082223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.082223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.082223 (E_RNA)
where:
Base-Base interactions energy: -122.173
where: short stacking energy: -47.179
Base-Backbone interact. energy: -0.256
local terms energy: -52.653123
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -92.466734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.466734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.466734 (E_RNA)
where:
Base-Base interactions energy: -37.285
where: short stacking energy: -37.285
Base-Backbone interact. energy: -0.202
local terms energy: -54.980296
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -6.720
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -79.059385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.059385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.059385 (E_RNA)
where:
Base-Base interactions energy: -34.371
where: short stacking energy: -31.275
Base-Backbone interact. energy: -0.123
local terms energy: -44.564579
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -8.141
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -237.888118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.888118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.888118 (E_RNA)
where:
Base-Base interactions energy: -154.906
where: short stacking energy: -71.567
Base-Backbone interact. energy: -0.004
local terms energy: -82.978461
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -226.395174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.395174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.395174 (E_RNA)
where:
Base-Base interactions energy: -152.675
where: short stacking energy: -63.202
Base-Backbone interact. energy: -0.104
local terms energy: -73.616388
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -14.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -200.691036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.691036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.691036 (E_RNA)
where:
Base-Base interactions energy: -125.699
where: short stacking energy: -56.336
Base-Backbone interact. energy: 0.488
local terms energy: -75.480010
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -200.533388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.533388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.533388 (E_RNA)
where:
Base-Base interactions energy: -132.408
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.122
local terms energy: -68.003099
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -14.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -188.266903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.266903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.266903 (E_RNA)
where:
Base-Base interactions energy: -116.193
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.402
local terms energy: -71.672289
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -8.582
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: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -163.044502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.044502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.044502 (E_RNA)
where:
Base-Base interactions energy: -108.526
where: short stacking energy: -43.451
Base-Backbone interact. energy: -0.284
local terms energy: -54.234632
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -5.968
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -170.707080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.707080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.707080 (E_RNA)
where:
Base-Base interactions energy: -103.363
where: short stacking energy: -50.838
Base-Backbone interact. energy: -0.103
local terms energy: -67.240585
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -7.082
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: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -157.465226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.465226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.465226 (E_RNA)
where:
Base-Base interactions energy: -89.985
where: short stacking energy: -45.250
Base-Backbone interact. energy: -0.125
local terms energy: -67.355319
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -6.752
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: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -88.112927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.112927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.112927 (E_RNA)
where:
Base-Base interactions energy: -43.777
where: short stacking energy: -29.621
Base-Backbone interact. energy: 2.411
local terms energy: -46.747150
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -82.941070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.941070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.941070 (E_RNA)
where:
Base-Base interactions energy: -33.871
where: short stacking energy: -33.871
Base-Backbone interact. energy: -0.177
local terms energy: -48.893051
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -2.786
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: 1, replica: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -237.042550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.042550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.042550 (E_RNA)
where:
Base-Base interactions energy: -156.909
where: short stacking energy: -68.386
Base-Backbone interact. energy: -0.192
local terms energy: -79.942140
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -12.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -231.558459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.558459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.558459 (E_RNA)
where:
Base-Base interactions energy: -156.064
where: short stacking energy: -83.421
Base-Backbone interact. energy: -0.004
local terms energy: -75.490545
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -24.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -205.807801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.807801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.807801 (E_RNA)
where:
Base-Base interactions energy: -134.663
where: short stacking energy: -68.004
Base-Backbone interact. energy: -0.018
local terms energy: -71.126779
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -218.998528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.998528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.998528 (E_RNA)
where:
Base-Base interactions energy: -132.692
where: short stacking energy: -69.316
Base-Backbone interact. energy: 0.989
local terms energy: -87.295385
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -23.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -196.295361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.295361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.295361 (E_RNA)
where:
Base-Base interactions energy: -121.900
where: short stacking energy: -52.531
Base-Backbone interact. energy: -0.512
local terms energy: -73.883056
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -188.539421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.539421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.539421 (E_RNA)
where:
Base-Base interactions energy: -116.101
where: short stacking energy: -59.002
Base-Backbone interact. energy: -0.722
local terms energy: -71.716497
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -17.058
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: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -179.015971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.015971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.015971 (E_RNA)
where:
Base-Base interactions energy: -111.104
where: short stacking energy: -51.705
Base-Backbone interact. energy: -0.033
local terms energy: -67.878526
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -148.689163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.689163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.689163 (E_RNA)
where:
Base-Base interactions energy: -100.550
where: short stacking energy: -45.134
Base-Backbone interact. energy: -0.587
local terms energy: -47.552117
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -8.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -92.360221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.360221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.360221 (E_RNA)
where:
Base-Base interactions energy: -47.405
where: short stacking energy: -32.152
Base-Backbone interact. energy: -0.242
local terms energy: -44.713406
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -7.809
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -81.588833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.588833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.588833 (E_RNA)
where:
Base-Base interactions energy: -31.615
where: short stacking energy: -31.615
Base-Backbone interact. energy: -0.306
local terms energy: -49.667797
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -239.851844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.851844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.851844 (E_RNA)
where:
Base-Base interactions energy: -161.773
where: short stacking energy: -70.020
Base-Backbone interact. energy: -0.205
local terms energy: -77.873855
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -10.966
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: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -239.913125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.913125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.913125 (E_RNA)
where:
Base-Base interactions energy: -157.497
where: short stacking energy: -75.235
Base-Backbone interact. energy: -0.587
local terms energy: -81.828890
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -211.949833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.949833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.949833 (E_RNA)
where:
Base-Base interactions energy: -141.989
where: short stacking energy: -66.439
Base-Backbone interact. energy: -0.021
local terms energy: -69.940227
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -214.883225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.883225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.883225 (E_RNA)
where:
Base-Base interactions energy: -134.566
where: short stacking energy: -81.890
Base-Backbone interact. energy: -0.003
local terms energy: -80.314098
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -192.778400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.778400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.778400 (E_RNA)
where:
Base-Base interactions energy: -127.904
where: short stacking energy: -68.592
Base-Backbone interact. energy: -0.012
local terms energy: -64.862904
where:
bonds (distance) C4'-P energy: -7.787
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -185.900339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.900339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.900339 (E_RNA)
where:
Base-Base interactions energy: -114.430
where: short stacking energy: -61.965
Base-Backbone interact. energy: -0.003
local terms energy: -71.467534
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -16.299
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: 381
Temperature: 1.200000
Total energy: -173.966830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.966830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.966830 (E_RNA)
where:
Base-Base interactions energy: -113.080
where: short stacking energy: -58.612
Base-Backbone interact. energy: -0.222
local terms energy: -60.664420
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -4.896
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -156.932224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.932224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.932224 (E_RNA)
where:
Base-Base interactions energy: -99.860
where: short stacking energy: -52.950
Base-Backbone interact. energy: -0.084
local terms energy: -56.988188
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -8.998
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: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -83.782505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.782505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.782505 (E_RNA)
where:
Base-Base interactions energy: -27.978
where: short stacking energy: -24.310
Base-Backbone interact. energy: 0.963
local terms energy: -56.767105
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -81.656359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.656359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.656359 (E_RNA)
where:
Base-Base interactions energy: -39.149
where: short stacking energy: -39.149
Base-Backbone interact. energy: 1.993
local terms energy: -44.500395
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -237.210737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.210737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.210737 (E_RNA)
where:
Base-Base interactions energy: -158.411
where: short stacking energy: -67.408
Base-Backbone interact. energy: -0.319
local terms energy: -78.480782
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -231.611314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.611314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.611314 (E_RNA)
where:
Base-Base interactions energy: -150.059
where: short stacking energy: -83.350
Base-Backbone interact. energy: -1.232
local terms energy: -80.320241
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -23.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -209.491785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.491785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.491785 (E_RNA)
where:
Base-Base interactions energy: -132.877
where: short stacking energy: -66.588
Base-Backbone interact. energy: -0.004
local terms energy: -76.611306
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -13.152
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: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -215.168565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.168565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.168565 (E_RNA)
where:
Base-Base interactions energy: -137.421
where: short stacking energy: -68.999
Base-Backbone interact. energy: -0.019
local terms energy: -77.728452
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -184.069911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.069911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.069911 (E_RNA)
where:
Base-Base interactions energy: -115.997
where: short stacking energy: -54.143
Base-Backbone interact. energy: -0.501
local terms energy: -67.572188
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -13.436
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: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -179.241212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.241212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.241212 (E_RNA)
where:
Base-Base interactions energy: -120.473
where: short stacking energy: -46.972
Base-Backbone interact. energy: -0.208
local terms energy: -58.560413
where:
bonds (distance) C4'-P energy: -8.445
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -9.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -173.480001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.480001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.480001 (E_RNA)
where:
Base-Base interactions energy: -118.146
where: short stacking energy: -58.920
Base-Backbone interact. energy: 0.862
local terms energy: -56.196567
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -142.000028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.000028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.000028 (E_RNA)
where:
Base-Base interactions energy: -90.489
where: short stacking energy: -44.585
Base-Backbone interact. energy: -0.008
local terms energy: -51.503550
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -8.077
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -99.039053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.039053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.039053 (E_RNA)
where:
Base-Base interactions energy: -55.780
where: short stacking energy: -34.033
Base-Backbone interact. energy: 1.906
local terms energy: -45.165332
where:
bonds (distance) C4'-P energy: -8.763
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -99.103383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.103383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.103383 (E_RNA)
where:
Base-Base interactions energy: -40.404
where: short stacking energy: -33.001
Base-Backbone interact. energy: 0.245
local terms energy: -58.944600
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -235.809625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.809625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.809625 (E_RNA)
where:
Base-Base interactions energy: -163.305
where: short stacking energy: -65.744
Base-Backbone interact. energy: -0.129
local terms energy: -72.376473
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -15.731
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: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -234.985165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.985165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.985165 (E_RNA)
where:
Base-Base interactions energy: -150.179
where: short stacking energy: -70.316
Base-Backbone interact. energy: -2.231
local terms energy: -82.575251
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -202.654170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.654170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.654170 (E_RNA)
where:
Base-Base interactions energy: -132.025
where: short stacking energy: -64.972
Base-Backbone interact. energy: -0.012
local terms energy: -70.616935
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -7.625
flat angles P-C4'-P energy: -11.829
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: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -205.888557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.888557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.888557 (E_RNA)
where:
Base-Base interactions energy: -132.588
where: short stacking energy: -57.315
Base-Backbone interact. energy: -0.221
local terms energy: -73.079679
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -17.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -204.144087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.144087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.144087 (E_RNA)
where:
Base-Base interactions energy: -129.014
where: short stacking energy: -69.315
Base-Backbone interact. energy: -0.757
local terms energy: -74.373564
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -209.778478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.778478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.778478 (E_RNA)
where:
Base-Base interactions energy: -141.111
where: short stacking energy: -72.280
Base-Backbone interact. energy: -0.078
local terms energy: -68.589706
where:
bonds (distance) C4'-P energy: -8.583
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -16.374
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: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -172.127624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.127624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.127624 (E_RNA)
where:
Base-Base interactions energy: -98.750
where: short stacking energy: -51.516
Base-Backbone interact. energy: -0.545
local terms energy: -72.833199
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -155.143927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.143927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.143927 (E_RNA)
where:
Base-Base interactions energy: -88.348
where: short stacking energy: -45.191
Base-Backbone interact. energy: 1.375
local terms energy: -68.170778
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -8.593
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: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -84.294412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.294412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.294412 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -32.545
Base-Backbone interact. energy: 3.243
local terms energy: -54.993158
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -74.973922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.973922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.973922 (E_RNA)
where:
Base-Base interactions energy: -34.496
where: short stacking energy: -20.749
Base-Backbone interact. energy: -0.241
local terms energy: -40.237320
where:
bonds (distance) C4'-P energy: -5.896
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: 3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -234.194200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.194200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.194200 (E_RNA)
where:
Base-Base interactions energy: -151.724
where: short stacking energy: -70.573
Base-Backbone interact. energy: -1.331
local terms energy: -81.139386
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -22.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -221.384252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.384252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.384252 (E_RNA)
where:
Base-Base interactions energy: -150.572
where: short stacking energy: -57.206
Base-Backbone interact. energy: -0.351
local terms energy: -70.461234
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -15.399
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: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -195.825626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.825626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.825626 (E_RNA)
where:
Base-Base interactions energy: -126.617
where: short stacking energy: -52.128
Base-Backbone interact. energy: -0.345
local terms energy: -68.863681
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -16.319
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: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -192.189796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.189796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.189796 (E_RNA)
where:
Base-Base interactions energy: -120.382
where: short stacking energy: -59.472
Base-Backbone interact. energy: -1.244
local terms energy: -70.563615
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -17.817
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: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -208.304569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.304569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.304569 (E_RNA)
where:
Base-Base interactions energy: -141.499
where: short stacking energy: -65.028
Base-Backbone interact. energy: 1.000
local terms energy: -67.804900
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -9.695
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -172.907312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.907312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.907312 (E_RNA)
where:
Base-Base interactions energy: -108.006
where: short stacking energy: -53.635
Base-Backbone interact. energy: -0.177
local terms energy: -64.724100
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -17.407
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: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -168.279209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.279209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.279209 (E_RNA)
where:
Base-Base interactions energy: -108.565
where: short stacking energy: -54.215
Base-Backbone interact. energy: 3.215
local terms energy: -62.928926
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -10.794
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: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -125.582948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.582948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.582948 (E_RNA)
where:
Base-Base interactions energy: -65.168
where: short stacking energy: -36.776
Base-Backbone interact. energy: -0.809
local terms energy: -59.606182
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -7.969
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: 384
Temperature: 1.300000
Total energy: -84.799057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.799057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.799057 (E_RNA)
where:
Base-Base interactions energy: -34.005
where: short stacking energy: -28.988
Base-Backbone interact. energy: -0.236
local terms energy: -50.558385
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -80.809280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.809280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.809280 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -34.845
Base-Backbone interact. energy: 0.532
local terms energy: -46.496320
where:
bonds (distance) C4'-P energy: -6.252
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -9.767
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: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -224.635226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.635226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.635226 (E_RNA)
where:
Base-Base interactions energy: -142.178
where: short stacking energy: -71.376
Base-Backbone interact. energy: -2.211
local terms energy: -80.246955
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -235.192036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.192036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.192036 (E_RNA)
where:
Base-Base interactions energy: -161.060
where: short stacking energy: -64.547
Base-Backbone interact. energy: -0.182
local terms energy: -73.950140
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -211.499298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.499298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.499298 (E_RNA)
where:
Base-Base interactions energy: -142.844
where: short stacking energy: -65.131
Base-Backbone interact. energy: -0.441
local terms energy: -68.214792
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -8.331
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: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -199.619030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.619030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.619030 (E_RNA)
where:
Base-Base interactions energy: -126.372
where: short stacking energy: -61.557
Base-Backbone interact. energy: -0.001
local terms energy: -73.246766
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -193.009432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.009432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.009432 (E_RNA)
where:
Base-Base interactions energy: -122.779
where: short stacking energy: -66.621
Base-Backbone interact. energy: -0.089
local terms energy: -70.142203
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -191.988569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.988569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.988569 (E_RNA)
where:
Base-Base interactions energy: -122.857
where: short stacking energy: -65.062
Base-Backbone interact. energy: -0.298
local terms energy: -68.833605
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -12.165
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: 7, replica: 4
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -161.889911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.889911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.889911 (E_RNA)
where:
Base-Base interactions energy: -103.153
where: short stacking energy: -57.090
Base-Backbone interact. energy: -0.818
local terms energy: -57.919096
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -7.881
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -106.288886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.288886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.288886 (E_RNA)
where:
Base-Base interactions energy: -60.123
where: short stacking energy: -22.245
Base-Backbone interact. energy: 1.279
local terms energy: -47.444975
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: 3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -92.277097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.277097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.277097 (E_RNA)
where:
Base-Base interactions energy: -37.140
where: short stacking energy: -33.013
Base-Backbone interact. energy: -0.301
local terms energy: -54.836691
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -84.059577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.059577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.059577 (E_RNA)
where:
Base-Base interactions energy: -31.649
where: short stacking energy: -22.299
Base-Backbone interact. energy: 1.692
local terms energy: -54.103483
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -7.335
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: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -241.145175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.145175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.145175 (E_RNA)
where:
Base-Base interactions energy: -152.926
where: short stacking energy: -78.878
Base-Backbone interact. energy: -0.685
local terms energy: -87.534714
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -23.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -206.697059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.697059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.697059 (E_RNA)
where:
Base-Base interactions energy: -134.533
where: short stacking energy: -50.369
Base-Backbone interact. energy: -0.124
local terms energy: -72.039243
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -208.363181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.363181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.363181 (E_RNA)
where:
Base-Base interactions energy: -136.375
where: short stacking energy: -66.030
Base-Backbone interact. energy: -0.408
local terms energy: -71.580518
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -210.561791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.561791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.561791 (E_RNA)
where:
Base-Base interactions energy: -141.416
where: short stacking energy: -65.076
Base-Backbone interact. energy: 1.317
local terms energy: -70.463347
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -6.188
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: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -195.504607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.504607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.504607 (E_RNA)
where:
Base-Base interactions energy: -126.910
where: short stacking energy: -64.546
Base-Backbone interact. energy: -0.483
local terms energy: -68.111276
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -199.263210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.263210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.263210 (E_RNA)
where:
Base-Base interactions energy: -121.415
where: short stacking energy: -59.696
Base-Backbone interact. energy: -0.130
local terms energy: -77.717899
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -171.703362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.703362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.703362 (E_RNA)
where:
Base-Base interactions energy: -110.461
where: short stacking energy: -46.559
Base-Backbone interact. energy: -0.001
local terms energy: -61.241264
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -9.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -91.922985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.922985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.922985 (E_RNA)
where:
Base-Base interactions energy: -35.799
where: short stacking energy: -31.466
Base-Backbone interact. energy: 0.164
local terms energy: -56.288410
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -11.675
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: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -81.283031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.283031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.283031 (E_RNA)
where:
Base-Base interactions energy: -34.089
where: short stacking energy: -20.821
Base-Backbone interact. energy: -0.278
local terms energy: -46.915332
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -87.121362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.121362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.121362 (E_RNA)
where:
Base-Base interactions energy: -30.054
where: short stacking energy: -27.212
Base-Backbone interact. energy: -0.215
local terms energy: -56.852322
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -225.700067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.700067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.700067 (E_RNA)
where:
Base-Base interactions energy: -147.837
where: short stacking energy: -61.746
Base-Backbone interact. energy: -0.151
local terms energy: -77.712134
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -15.492
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: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -201.045288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.045288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.045288 (E_RNA)
where:
Base-Base interactions energy: -127.666
where: short stacking energy: -63.460
Base-Backbone interact. energy: -0.506
local terms energy: -72.872967
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -5.481
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: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -184.587807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.587807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.587807 (E_RNA)
where:
Base-Base interactions energy: -119.911
where: short stacking energy: -48.815
Base-Backbone interact. energy: -0.624
local terms energy: -64.052700
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -6.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -213.512167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.512167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.512167 (E_RNA)
where:
Base-Base interactions energy: -140.310
where: short stacking energy: -64.600
Base-Backbone interact. energy: -0.124
local terms energy: -73.078016
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -20.665
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: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -179.033844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.033844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.033844 (E_RNA)
where:
Base-Base interactions energy: -107.158
where: short stacking energy: -62.403
Base-Backbone interact. energy: -0.630
local terms energy: -71.245958
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -168.940560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.940560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.940560 (E_RNA)
where:
Base-Base interactions energy: -106.755
where: short stacking energy: -54.498
Base-Backbone interact. energy: -1.436
local terms energy: -60.749277
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -171.025856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.025856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.025856 (E_RNA)
where:
Base-Base interactions energy: -104.901
where: short stacking energy: -48.650
Base-Backbone interact. energy: -1.216
local terms energy: -64.909025
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -95.661842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.661842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.661842 (E_RNA)
where:
Base-Base interactions energy: -44.466
where: short stacking energy: -31.837
Base-Backbone interact. energy: -0.255
local terms energy: -50.940365
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -7.849
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: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -91.772275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.772275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.772275 (E_RNA)
where:
Base-Base interactions energy: -27.984
where: short stacking energy: -27.796
Base-Backbone interact. energy: -0.279
local terms energy: -63.509486
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -87.842220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.842220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.842220 (E_RNA)
where:
Base-Base interactions energy: -33.025
where: short stacking energy: -21.972
Base-Backbone interact. energy: -0.501
local terms energy: -54.316358
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: 1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -216.816113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.816113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.816113 (E_RNA)
where:
Base-Base interactions energy: -136.316
where: short stacking energy: -70.304
Base-Backbone interact. energy: -0.964
local terms energy: -79.536524
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -12.883
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: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -238.421991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.421991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.421991 (E_RNA)
where:
Base-Base interactions energy: -163.176
where: short stacking energy: -68.985
Base-Backbone interact. energy: -0.842
local terms energy: -74.403925
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -201.028726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.028726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.028726 (E_RNA)
where:
Base-Base interactions energy: -128.429
where: short stacking energy: -55.116
Base-Backbone interact. energy: -0.195
local terms energy: -72.404561
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -9.617
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: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -183.815432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.815432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.815432 (E_RNA)
where:
Base-Base interactions energy: -122.446
where: short stacking energy: -50.710
Base-Backbone interact. energy: -0.768
local terms energy: -60.600914
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -7.005
flat angles P-C4'-P energy: -12.064
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: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -178.313176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.313176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.313176 (E_RNA)
where:
Base-Base interactions energy: -118.548
where: short stacking energy: -51.253
Base-Backbone interact. energy: -1.296
local terms energy: -58.469810
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -9.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -173.686234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.686234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.686234 (E_RNA)
where:
Base-Base interactions energy: -113.012
where: short stacking energy: -59.762
Base-Backbone interact. energy: 0.619
local terms energy: -61.293341
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -163.262968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.262968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.262968 (E_RNA)
where:
Base-Base interactions energy: -105.319
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.700
local terms energy: -57.244745
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -10.310
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -123.126436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.126436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.126436 (E_RNA)
where:
Base-Base interactions energy: -67.557
where: short stacking energy: -37.749
Base-Backbone interact. energy: 0.133
local terms energy: -55.703127
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -88.640382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.640382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.640382 (E_RNA)
where:
Base-Base interactions energy: -31.834
where: short stacking energy: -31.834
Base-Backbone interact. energy: -0.307
local terms energy: -56.499114
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -83.010436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.010436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.010436 (E_RNA)
where:
Base-Base interactions energy: -35.141
where: short stacking energy: -33.906
Base-Backbone interact. energy: -0.090
local terms energy: -47.779793
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -222.327195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.327195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.327195 (E_RNA)
where:
Base-Base interactions energy: -139.916
where: short stacking energy: -70.295
Base-Backbone interact. energy: -0.041
local terms energy: -82.369254
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -234.350230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.350230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.350230 (E_RNA)
where:
Base-Base interactions energy: -157.354
where: short stacking energy: -58.465
Base-Backbone interact. energy: -0.218
local terms energy: -76.777641
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -214.298852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.298852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.298852 (E_RNA)
where:
Base-Base interactions energy: -135.234
where: short stacking energy: -65.822
Base-Backbone interact. energy: -0.627
local terms energy: -78.437671
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -194.769652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.769652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.769652 (E_RNA)
where:
Base-Base interactions energy: -135.879
where: short stacking energy: -58.754
Base-Backbone interact. energy: -0.225
local terms energy: -58.665620
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -9.303
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -12.242
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: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -191.394802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.394802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.394802 (E_RNA)
where:
Base-Base interactions energy: -128.891
where: short stacking energy: -66.336
Base-Backbone interact. energy: -0.151
local terms energy: -62.353448
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -13.296
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: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -180.948980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.948980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.948980 (E_RNA)
where:
Base-Base interactions energy: -124.634
where: short stacking energy: -62.861
Base-Backbone interact. energy: -0.148
local terms energy: -56.166094
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -166.898622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.898622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.898622 (E_RNA)
where:
Base-Base interactions energy: -98.747
where: short stacking energy: -54.886
Base-Backbone interact. energy: -0.820
local terms energy: -67.331944
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -12.574
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: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -90.548702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.548702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.548702 (E_RNA)
where:
Base-Base interactions energy: -32.541
where: short stacking energy: -31.242
Base-Backbone interact. energy: -0.326
local terms energy: -57.681236
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -80.615505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.615505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.615505 (E_RNA)
where:
Base-Base interactions energy: -29.826
where: short stacking energy: -21.125
Base-Backbone interact. energy: -0.036
local terms energy: -50.753471
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -10.978
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: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -80.442525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.442525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.442525 (E_RNA)
where:
Base-Base interactions energy: -33.988
where: short stacking energy: -29.621
Base-Backbone interact. energy: 0.486
local terms energy: -46.939928
where:
bonds (distance) C4'-P energy: -7.395
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -5.734
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: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -229.769357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.769357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.769357 (E_RNA)
where:
Base-Base interactions energy: -147.972
where: short stacking energy: -72.324
Base-Backbone interact. energy: -0.366
local terms energy: -81.431224
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -212.559565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.559565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.559565 (E_RNA)
where:
Base-Base interactions energy: -142.735
where: short stacking energy: -63.464
Base-Backbone interact. energy: -0.205
local terms energy: -69.619097
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -13.880
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: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -204.464793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.464793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.464793 (E_RNA)
where:
Base-Base interactions energy: -136.811
where: short stacking energy: -61.198
Base-Backbone interact. energy: -0.126
local terms energy: -67.527583
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -8.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -181.860060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.860060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.860060 (E_RNA)
where:
Base-Base interactions energy: -110.456
where: short stacking energy: -64.822
Base-Backbone interact. energy: -0.136
local terms energy: -71.267669
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -17.235
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: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -188.090159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.090159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.090159 (E_RNA)
where:
Base-Base interactions energy: -124.636
where: short stacking energy: -58.739
Base-Backbone interact. energy: -0.070
local terms energy: -63.383639
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -191.206524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.206524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.206524 (E_RNA)
where:
Base-Base interactions energy: -129.114
where: short stacking energy: -65.596
Base-Backbone interact. energy: -0.106
local terms energy: -61.986741
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -166.078694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.078694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.078694 (E_RNA)
where:
Base-Base interactions energy: -105.201
where: short stacking energy: -49.280
Base-Backbone interact. energy: 0.212
local terms energy: -61.089371
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -10.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -94.462686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.462686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.462686 (E_RNA)
where:
Base-Base interactions energy: -45.677
where: short stacking energy: -45.677
Base-Backbone interact. energy: -0.023
local terms energy: -48.762397
where:
bonds (distance) C4'-P energy: -7.269
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -9.158
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: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -96.200492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.200492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.200492 (E_RNA)
where:
Base-Base interactions energy: -40.762
where: short stacking energy: -35.739
Base-Backbone interact. energy: 1.643
local terms energy: -57.081997
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -91.800837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.800837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.800837 (E_RNA)
where:
Base-Base interactions energy: -35.514
where: short stacking energy: -35.514
Base-Backbone interact. energy: -1.999
local terms energy: -54.288478
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -222.220958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.220958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.220958 (E_RNA)
where:
Base-Base interactions energy: -142.309
where: short stacking energy: -77.406
Base-Backbone interact. energy: -0.220
local terms energy: -79.692056
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -201.350596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.350596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.350596 (E_RNA)
where:
Base-Base interactions energy: -140.225
where: short stacking energy: -55.305
Base-Backbone interact. energy: -0.196
local terms energy: -60.929657
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -9.465
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -208.450119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.450119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.450119 (E_RNA)
where:
Base-Base interactions energy: -139.652
where: short stacking energy: -64.024
Base-Backbone interact. energy: -0.300
local terms energy: -68.498900
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -181.224082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.224082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.224082 (E_RNA)
where:
Base-Base interactions energy: -110.103
where: short stacking energy: -57.104
Base-Backbone interact. energy: -0.015
local terms energy: -71.106733
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -14.781
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: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -179.770725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.770725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.770725 (E_RNA)
where:
Base-Base interactions energy: -116.613
where: short stacking energy: -44.334
Base-Backbone interact. energy: -0.359
local terms energy: -62.798701
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -183.366833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.366833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.366833 (E_RNA)
where:
Base-Base interactions energy: -116.932
where: short stacking energy: -58.473
Base-Backbone interact. energy: -0.195
local terms energy: -66.239972
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -13.451
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: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -166.943979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.943979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.943979 (E_RNA)
where:
Base-Base interactions energy: -105.550
where: short stacking energy: -46.958
Base-Backbone interact. energy: -0.087
local terms energy: -61.307909
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -10.786
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: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -98.657781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.657781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.657781 (E_RNA)
where:
Base-Base interactions energy: -46.380
where: short stacking energy: -30.499
Base-Backbone interact. energy: -0.085
local terms energy: -52.192454
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -5.869
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: 391
Temperature: 1.300000
Total energy: -95.055867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.055867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.055867 (E_RNA)
where:
Base-Base interactions energy: -44.939
where: short stacking energy: -33.786
Base-Backbone interact. energy: -0.371
local terms energy: -49.745839
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -82.186794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.186794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.186794 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -31.653
Base-Backbone interact. energy: -0.164
local terms energy: -46.846820
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -214.873372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.873372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.873372 (E_RNA)
where:
Base-Base interactions energy: -139.798
where: short stacking energy: -68.216
Base-Backbone interact. energy: -0.005
local terms energy: -75.070814
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -17.701
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: 392
Temperature: 0.950000
Total energy: -209.026028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.026028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.026028 (E_RNA)
where:
Base-Base interactions energy: -140.775
where: short stacking energy: -66.510
Base-Backbone interact. energy: -0.151
local terms energy: -68.100089
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -14.217
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: 392
Temperature: 1.000000
Total energy: -212.332023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.332023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.332023 (E_RNA)
where:
Base-Base interactions energy: -134.313
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.151
local terms energy: -77.867719
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -190.773150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.773150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.773150 (E_RNA)
where:
Base-Base interactions energy: -137.637
where: short stacking energy: -45.398
Base-Backbone interact. energy: -1.464
local terms energy: -51.672647
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -199.207997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.207997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.207997 (E_RNA)
where:
Base-Base interactions energy: -125.418
where: short stacking energy: -55.671
Base-Backbone interact. energy: -1.745
local terms energy: -72.045054
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -14.055
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: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -177.416672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.416672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.416672 (E_RNA)
where:
Base-Base interactions energy: -105.170
where: short stacking energy: -50.515
Base-Backbone interact. energy: -0.037
local terms energy: -72.209709
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -11.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -160.307763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.307763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.307763 (E_RNA)
where:
Base-Base interactions energy: -99.071
where: short stacking energy: -41.555
Base-Backbone interact. energy: -0.201
local terms energy: -61.036185
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -100.536400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.536400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.536400 (E_RNA)
where:
Base-Base interactions energy: -40.654
where: short stacking energy: -36.381
Base-Backbone interact. energy: -0.124
local terms energy: -59.758656
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -7.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -86.918818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.918818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.918818 (E_RNA)
where:
Base-Base interactions energy: -38.044
where: short stacking energy: -38.744
Base-Backbone interact. energy: 0.742
local terms energy: -49.617096
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -89.669473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.669473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.669473 (E_RNA)
where:
Base-Base interactions energy: -51.519
where: short stacking energy: -27.065
Base-Backbone interact. energy: -0.277
local terms energy: -37.873898
where:
bonds (distance) C4'-P energy: -8.651
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: 2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -220.866269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.866269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.866269 (E_RNA)
where:
Base-Base interactions energy: -141.910
where: short stacking energy: -70.828
Base-Backbone interact. energy: -0.039
local terms energy: -78.917180
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -222.836850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.836850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.836850 (E_RNA)
where:
Base-Base interactions energy: -147.140
where: short stacking energy: -71.197
Base-Backbone interact. energy: 0.046
local terms energy: -75.743125
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -19.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -209.212631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.212631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.212631 (E_RNA)
where:
Base-Base interactions energy: -140.690
where: short stacking energy: -51.819
Base-Backbone interact. energy: -0.464
local terms energy: -68.058133
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -216.224327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.224327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.224327 (E_RNA)
where:
Base-Base interactions energy: -141.405
where: short stacking energy: -74.753
Base-Backbone interact. energy: 1.208
local terms energy: -76.026506
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -16.450
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: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -206.111506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.111506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.111506 (E_RNA)
where:
Base-Base interactions energy: -138.389
where: short stacking energy: -57.529
Base-Backbone interact. energy: -0.136
local terms energy: -67.587033
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -15.455
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: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -172.145835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.145835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.145835 (E_RNA)
where:
Base-Base interactions energy: -118.719
where: short stacking energy: -56.288
Base-Backbone interact. energy: 0.422
local terms energy: -53.848774
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -158.977426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.977426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.977426 (E_RNA)
where:
Base-Base interactions energy: -103.331
where: short stacking energy: -41.681
Base-Backbone interact. energy: -0.717
local terms energy: -54.929416
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -8.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -100.145053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.145053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.145053 (E_RNA)
where:
Base-Base interactions energy: -45.767
where: short stacking energy: -36.771
Base-Backbone interact. energy: -0.066
local terms energy: -54.311206
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -8.075
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -91.565524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.565524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.565524 (E_RNA)
where:
Base-Base interactions energy: -37.265
where: short stacking energy: -32.274
Base-Backbone interact. energy: -0.092
local terms energy: -54.208351
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -6.465
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: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -95.867939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.867939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.867939 (E_RNA)
where:
Base-Base interactions energy: -52.856
where: short stacking energy: -18.847
Base-Backbone interact. energy: 0.341
local terms energy: -43.352739
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -7.309
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -230.292083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.292083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.292083 (E_RNA)
where:
Base-Base interactions energy: -153.783
where: short stacking energy: -68.147
Base-Backbone interact. energy: -0.340
local terms energy: -76.168351
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -196.851254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.851254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.851254 (E_RNA)
where:
Base-Base interactions energy: -129.349
where: short stacking energy: -61.236
Base-Backbone interact. energy: -0.306
local terms energy: -67.196245
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -14.740
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: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -221.038995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.038995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.038995 (E_RNA)
where:
Base-Base interactions energy: -141.543
where: short stacking energy: -63.565
Base-Backbone interact. energy: -0.383
local terms energy: -79.113018
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -212.413355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.413355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.413355 (E_RNA)
where:
Base-Base interactions energy: -140.956
where: short stacking energy: -59.257
Base-Backbone interact. energy: -0.305
local terms energy: -71.152000
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -15.966
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: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -181.404335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.404335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.404335 (E_RNA)
where:
Base-Base interactions energy: -103.991
where: short stacking energy: -51.675
Base-Backbone interact. energy: -0.002
local terms energy: -77.411149
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -17.611
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: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -183.619092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.619092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.619092 (E_RNA)
where:
Base-Base interactions energy: -112.332
where: short stacking energy: -53.027
Base-Backbone interact. energy: -0.161
local terms energy: -71.126728
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -165.660119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.660119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.660119 (E_RNA)
where:
Base-Base interactions energy: -102.684
where: short stacking energy: -54.484
Base-Backbone interact. energy: -0.002
local terms energy: -62.974391
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -12.311
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: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -80.666701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.666701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.666701 (E_RNA)
where:
Base-Base interactions energy: -29.293
where: short stacking energy: -28.005
Base-Backbone interact. energy: -0.666
local terms energy: -50.707838
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -84.899006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.899006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.899006 (E_RNA)
where:
Base-Base interactions energy: -30.511
where: short stacking energy: -29.167
Base-Backbone interact. energy: -0.086
local terms energy: -54.302360
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -83.429395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.429395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.429395 (E_RNA)
where:
Base-Base interactions energy: -31.813
where: short stacking energy: -29.542
Base-Backbone interact. energy: 0.670
local terms energy: -52.286586
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -226.683980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.683980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.683980 (E_RNA)
where:
Base-Base interactions energy: -152.322
where: short stacking energy: -72.041
Base-Backbone interact. energy: -0.005
local terms energy: -74.356275
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -209.120423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.120423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.120423 (E_RNA)
where:
Base-Base interactions energy: -133.837
where: short stacking energy: -66.218
Base-Backbone interact. energy: -0.003
local terms energy: -75.280758
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -17.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -199.083795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.083795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.083795 (E_RNA)
where:
Base-Base interactions energy: -131.888
where: short stacking energy: -68.535
Base-Backbone interact. energy: -0.419
local terms energy: -66.777228
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -8.209
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -224.277514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.277514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.277514 (E_RNA)
where:
Base-Base interactions energy: -144.378
where: short stacking energy: -63.799
Base-Backbone interact. energy: -0.088
local terms energy: -79.810933
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -188.369300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.369300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.369300 (E_RNA)
where:
Base-Base interactions energy: -125.703
where: short stacking energy: -55.157
Base-Backbone interact. energy: -0.748
local terms energy: -61.918606
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: -17.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -166.891639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.891639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.891639 (E_RNA)
where:
Base-Base interactions energy: -97.065
where: short stacking energy: -53.823
Base-Backbone interact. energy: -0.131
local terms energy: -69.694942
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -14.407
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: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -152.024094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.024094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.024094 (E_RNA)
where:
Base-Base interactions energy: -94.681
where: short stacking energy: -45.780
Base-Backbone interact. energy: -0.077
local terms energy: -57.266221
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -98.627270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.627270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.627270 (E_RNA)
where:
Base-Base interactions energy: -35.650
where: short stacking energy: -35.650
Base-Backbone interact. energy: 0.726
local terms energy: -63.702697
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -8.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -90.181066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.181066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.181066 (E_RNA)
where:
Base-Base interactions energy: -38.021
where: short stacking energy: -33.606
Base-Backbone interact. energy: -0.181
local terms energy: -51.979398
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -9.838
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: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -90.812697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.812697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.812697 (E_RNA)
where:
Base-Base interactions energy: -33.740
where: short stacking energy: -34.940
Base-Backbone interact. energy: -0.097
local terms energy: -56.975735
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -8.455
flat angles P-C4'-P energy: -10.146
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: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -232.557169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.557169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.557169 (E_RNA)
where:
Base-Base interactions energy: -157.815
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.304
local terms energy: -74.437934
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -210.327534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.327534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.327534 (E_RNA)
where:
Base-Base interactions energy: -143.918
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.001
local terms energy: -66.407915
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -5.899
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: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -200.113654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.113654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.113654 (E_RNA)
where:
Base-Base interactions energy: -123.554
where: short stacking energy: -58.447
Base-Backbone interact. energy: -0.075
local terms energy: -76.484721
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -204.996985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.996985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.996985 (E_RNA)
where:
Base-Base interactions energy: -134.660
where: short stacking energy: -70.491
Base-Backbone interact. energy: -0.176
local terms energy: -70.160506
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -9.902
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -18.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -211.208075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.208075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.208075 (E_RNA)
where:
Base-Base interactions energy: -126.775
where: short stacking energy: -59.697
Base-Backbone interact. energy: -0.005
local terms energy: -84.428626
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -19.643
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: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -197.347627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.347627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.347627 (E_RNA)
where:
Base-Base interactions energy: -124.901
where: short stacking energy: -58.226
Base-Backbone interact. energy: -0.494
local terms energy: -71.952326
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -90.471502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.471502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.471502 (E_RNA)
where:
Base-Base interactions energy: -34.880
where: short stacking energy: -25.781
Base-Backbone interact. energy: -0.191
local terms energy: -55.400888
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -146.757958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.757958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.757958 (E_RNA)
where:
Base-Base interactions energy: -85.798
where: short stacking energy: -45.526
Base-Backbone interact. energy: -0.246
local terms energy: -60.714544
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -88.342447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.342447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.342447 (E_RNA)
where:
Base-Base interactions energy: -35.573
where: short stacking energy: -35.096
Base-Backbone interact. energy: -0.016
local terms energy: -52.753396
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -91.726276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.726276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.726276 (E_RNA)
where:
Base-Base interactions energy: -29.215
where: short stacking energy: -20.744
Base-Backbone interact. energy: -0.145
local terms energy: -62.365614
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -231.065544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.065544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.065544 (E_RNA)
where:
Base-Base interactions energy: -150.709
where: short stacking energy: -73.934
Base-Backbone interact. energy: -1.053
local terms energy: -79.304080
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -22.454
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: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -237.840979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.840979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.840979 (E_RNA)
where:
Base-Base interactions energy: -159.814
where: short stacking energy: -69.796
Base-Backbone interact. energy: -0.361
local terms energy: -77.665925
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -195.377686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.377686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.377686 (E_RNA)
where:
Base-Base interactions energy: -119.911
where: short stacking energy: -61.070
Base-Backbone interact. energy: -0.305
local terms energy: -75.161752
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -15.608
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: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -220.751633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.751633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.751633 (E_RNA)
where:
Base-Base interactions energy: -139.878
where: short stacking energy: -72.145
Base-Backbone interact. energy: -0.101
local terms energy: -80.773003
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -23.376
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: 397
Temperature: 1.100000
Total energy: -174.727809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.727809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.727809 (E_RNA)
where:
Base-Base interactions energy: -108.197
where: short stacking energy: -45.571
Base-Backbone interact. energy: -0.200
local terms energy: -66.330347
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -7.019
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: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -186.234991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.234991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.234991 (E_RNA)
where:
Base-Base interactions energy: -115.883
where: short stacking energy: -58.344
Base-Backbone interact. energy: -0.060
local terms energy: -70.291867
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -94.925616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.925616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.925616 (E_RNA)
where:
Base-Base interactions energy: -37.611
where: short stacking energy: -37.611
Base-Backbone interact. energy: 0.609
local terms energy: -57.923875
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -87.242079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.242079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.242079 (E_RNA)
where:
Base-Base interactions energy: -41.367
where: short stacking energy: -33.293
Base-Backbone interact. energy: -0.130
local terms energy: -45.745358
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -1.452
tors. eta vs tors. theta energy: 1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -163.339692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.339692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.339692 (E_RNA)
where:
Base-Base interactions energy: -99.028
where: short stacking energy: -50.559
Base-Backbone interact. energy: -0.048
local terms energy: -64.262970
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -90.540217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.540217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.540217 (E_RNA)
where:
Base-Base interactions energy: -39.052
where: short stacking energy: -36.301
Base-Backbone interact. energy: -0.061
local terms energy: -51.426561
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -242.594422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.594422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.594422 (E_RNA)
where:
Base-Base interactions energy: -162.826
where: short stacking energy: -68.541
Base-Backbone interact. energy: 0.202
local terms energy: -79.970444
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -227.602467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.602467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.602467 (E_RNA)
where:
Base-Base interactions energy: -152.276
where: short stacking energy: -79.219
Base-Backbone interact. energy: -0.001
local terms energy: -75.325118
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -21.746
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: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -205.974984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.974984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.974984 (E_RNA)
where:
Base-Base interactions energy: -125.872
where: short stacking energy: -61.715
Base-Backbone interact. energy: -0.705
local terms energy: -79.397777
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -16.887
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: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -191.945572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.945572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.945572 (E_RNA)
where:
Base-Base interactions energy: -125.424
where: short stacking energy: -68.039
Base-Backbone interact. energy: 1.842
local terms energy: -68.363898
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -199.247031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.247031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.247031 (E_RNA)
where:
Base-Base interactions energy: -124.080
where: short stacking energy: -64.274
Base-Backbone interact. energy: -2.610
local terms energy: -72.556535
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -160.654457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.654457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.654457 (E_RNA)
where:
Base-Base interactions energy: -101.900
where: short stacking energy: -46.103
Base-Backbone interact. energy: 0.650
local terms energy: -59.404496
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -9.882
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: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -83.522468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.522468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.522468 (E_RNA)
where:
Base-Base interactions energy: -29.557
where: short stacking energy: -24.560
Base-Backbone interact. energy: 0.624
local terms energy: -54.589935
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -6.601
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: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -85.333583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.333583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.333583 (E_RNA)
where:
Base-Base interactions energy: -41.291
where: short stacking energy: -37.713
Base-Backbone interact. energy: -0.074
local terms energy: -43.968385
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -6.022
flat angles P-C4'-P energy: -0.675
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: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -83.325970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.325970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.325970 (E_RNA)
where:
Base-Base interactions energy: -33.946
where: short stacking energy: -28.588
Base-Backbone interact. energy: 0.466
local terms energy: -49.846198
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -13.837
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: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -140.858430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.858430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.858430 (E_RNA)
where:
Base-Base interactions energy: -79.018
where: short stacking energy: -39.696
Base-Backbone interact. energy: -0.091
local terms energy: -61.749744
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -10.558
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: 6
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -242.777987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.777987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.777987 (E_RNA)
where:
Base-Base interactions energy: -163.802
where: short stacking energy: -71.493
Base-Backbone interact. energy: -1.043
local terms energy: -77.933072
where:
bonds (distance) C4'-P energy: -8.024
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -22.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -232.383987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.383987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.383987 (E_RNA)
where:
Base-Base interactions energy: -150.064
where: short stacking energy: -78.930
Base-Backbone interact. energy: -0.002
local terms energy: -82.318223
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -21.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -214.607295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.607295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.607295 (E_RNA)
where:
Base-Base interactions energy: -143.260
where: short stacking energy: -55.818
Base-Backbone interact. energy: -0.316
local terms energy: -71.031006
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -10.596
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: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -207.156458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.156458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.156458 (E_RNA)
where:
Base-Base interactions energy: -134.897
where: short stacking energy: -71.481
Base-Backbone interact. energy: -0.001
local terms energy: -72.259096
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -193.051964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.051964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.051964 (E_RNA)
where:
Base-Base interactions energy: -122.855
where: short stacking energy: -57.112
Base-Backbone interact. energy: -0.040
local terms energy: -70.157212
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -17.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -162.660426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.660426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.660426 (E_RNA)
where:
Base-Base interactions energy: -102.787
where: short stacking energy: -43.852
Base-Backbone interact. energy: 0.004
local terms energy: -59.876894
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -119.681753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.681753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.681753 (E_RNA)
where:
Base-Base interactions energy: -49.669
where: short stacking energy: -49.669
Base-Backbone interact. energy: -0.003
local terms energy: -70.010309
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -12.247
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: 8, replica: 9
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -84.711532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.711532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.711532 (E_RNA)
where:
Base-Base interactions energy: -39.250
where: short stacking energy: -36.424
Base-Backbone interact. energy: 0.371
local terms energy: -45.832989
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -3.550
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: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -88.716559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.716559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.716559 (E_RNA)
where:
Base-Base interactions energy: -35.055
where: short stacking energy: -31.718
Base-Backbone interact. energy: -0.023
local terms energy: -53.638208
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -7.872
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: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -99.114581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.114581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.114581 (E_RNA)
where:
Base-Base interactions energy: -41.754
where: short stacking energy: -41.211
Base-Backbone interact. energy: -0.013
local terms energy: -57.347799
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -228.897372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.897372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.897372 (E_RNA)
where:
Base-Base interactions energy: -151.515
where: short stacking energy: -77.283
Base-Backbone interact. energy: -0.170
local terms energy: -77.212419
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -23.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -243.157673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.157673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.157673 (E_RNA)
where:
Base-Base interactions energy: -157.417
where: short stacking energy: -67.519
Base-Backbone interact. energy: -0.093
local terms energy: -85.648186
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -19.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -220.851885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.851885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.851885 (E_RNA)
where:
Base-Base interactions energy: -140.608
where: short stacking energy: -75.838
Base-Backbone interact. energy: -0.329
local terms energy: -79.914753
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -19.283
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: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -210.980844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.980844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.980844 (E_RNA)
where:
Base-Base interactions energy: -137.133
where: short stacking energy: -55.649
Base-Backbone interact. energy: -0.768
local terms energy: -73.079984
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -14.357
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: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -199.552421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.552421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.552421 (E_RNA)
where:
Base-Base interactions energy: -128.274
where: short stacking energy: -64.612
Base-Backbone interact. energy: -0.020
local terms energy: -71.258705
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -14.375
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: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -170.040561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.040561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.040561 (E_RNA)
where:
Base-Base interactions energy: -113.163
where: short stacking energy: -60.639
Base-Backbone interact. energy: -0.026
local terms energy: -56.851159
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -98.443565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.443565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.443565 (E_RNA)
where:
Base-Base interactions energy: -47.037
where: short stacking energy: -40.804
Base-Backbone interact. energy: -0.046
local terms energy: -51.360929
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -11.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -85.301111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.301111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.301111 (E_RNA)
where:
Base-Base interactions energy: -32.675
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.053
local terms energy: -52.573221
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -0.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -95.048789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.048789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.048789 (E_RNA)
where:
Base-Base interactions energy: -43.866
where: short stacking energy: -43.750
Base-Backbone interact. energy: -0.019
local terms energy: -51.163250
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -7.563
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: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -80.329138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.329138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.329138 (E_RNA)
where:
Base-Base interactions energy: -32.436
where: short stacking energy: -28.107
Base-Backbone interact. energy: -0.291
local terms energy: -47.602338
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -2.826
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -213.922723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.922723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.922723 (E_RNA)
where:
Base-Base interactions energy: -141.738
where: short stacking energy: -72.265
Base-Backbone interact. energy: -0.068
local terms energy: -72.116453
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -16.222
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: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -239.990654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.990654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.990654 (E_RNA)
where:
Base-Base interactions energy: -158.749
where: short stacking energy: -67.860
Base-Backbone interact. energy: -0.106
local terms energy: -81.135856
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -207.497369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.497369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.497369 (E_RNA)
where:
Base-Base interactions energy: -137.209
where: short stacking energy: -65.957
Base-Backbone interact. energy: -0.722
local terms energy: -69.566464
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -19.416
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: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -213.549800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.549800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.549800 (E_RNA)
where:
Base-Base interactions energy: -142.467
where: short stacking energy: -74.899
Base-Backbone interact. energy: -0.042
local terms energy: -71.041518
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -8.692
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -203.265215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.265215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.265215 (E_RNA)
where:
Base-Base interactions energy: -136.232
where: short stacking energy: -52.525
Base-Backbone interact. energy: -0.157
local terms energy: -66.875839
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -159.567279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.567279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.567279 (E_RNA)
where:
Base-Base interactions energy: -102.864
where: short stacking energy: -50.391
Base-Backbone interact. energy: -0.148
local terms energy: -56.555284
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -90.050473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.050473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.050473 (E_RNA)
where:
Base-Base interactions energy: -30.717
where: short stacking energy: -30.717
Base-Backbone interact. energy: -0.112
local terms energy: -59.221664
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -95.303772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.303772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.303772 (E_RNA)
where:
Base-Base interactions energy: -41.606
where: short stacking energy: -41.606
Base-Backbone interact. energy: -0.044
local terms energy: -53.654090
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.560
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: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -79.862460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.862460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.862460 (E_RNA)
where:
Base-Base interactions energy: -36.672
where: short stacking energy: -29.406
Base-Backbone interact. energy: 0.245
local terms energy: -43.435441
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -7.361
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: 1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -107.205746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.205746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.205746 (E_RNA)
where:
Base-Base interactions energy: -46.666
where: short stacking energy: -30.748
Base-Backbone interact. energy: 1.060
local terms energy: -61.600387
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -247.570509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.570509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.570509 (E_RNA)
where:
Base-Base interactions energy: -159.243
where: short stacking energy: -72.402
Base-Backbone interact. energy: -0.148
local terms energy: -88.179101
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -214.406091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.406091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.406091 (E_RNA)
where:
Base-Base interactions energy: -138.970
where: short stacking energy: -71.285
Base-Backbone interact. energy: -0.634
local terms energy: -74.802387
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -13.788
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: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -209.579570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.579570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.579570 (E_RNA)
where:
Base-Base interactions energy: -137.263
where: short stacking energy: -61.988
Base-Backbone interact. energy: -0.125
local terms energy: -72.190977
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -196.898755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.898755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.898755 (E_RNA)
where:
Base-Base interactions energy: -124.161
where: short stacking energy: -58.924
Base-Backbone interact. energy: -0.193
local terms energy: -72.545630
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -200.707771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.707771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.707771 (E_RNA)
where:
Base-Base interactions energy: -129.285
where: short stacking energy: -50.918
Base-Backbone interact. energy: -0.257
local terms energy: -71.165881
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -13.221
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: 6, replica: 2
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -161.252157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.252157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.252157 (E_RNA)
where:
Base-Base interactions energy: -92.726
where: short stacking energy: -53.676
Base-Backbone interact. energy: -0.479
local terms energy: -68.047926
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -12.687
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: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -86.700982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.700982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.700982 (E_RNA)
where:
Base-Base interactions energy: -33.619
where: short stacking energy: -23.857
Base-Backbone interact. energy: 0.842
local terms energy: -53.924237
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: 2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -94.777610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.777610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.777610 (E_RNA)
where:
Base-Base interactions energy: -42.489
where: short stacking energy: -29.831
Base-Backbone interact. energy: -0.579
local terms energy: -51.709198
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -0.714
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -97.586424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.586424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.586424 (E_RNA)
where:
Base-Base interactions energy: -47.058
where: short stacking energy: -32.231
Base-Backbone interact. energy: 0.523
local terms energy: -51.051337
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -91.963167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.963167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.963167 (E_RNA)
where:
Base-Base interactions energy: -39.222
where: short stacking energy: -29.939
Base-Backbone interact. energy: -0.752
local terms energy: -51.989007
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: 1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -241.770065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.770065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.770065 (E_RNA)
where:
Base-Base interactions energy: -163.877
where: short stacking energy: -66.573
Base-Backbone interact. energy: -0.048
local terms energy: -77.845031
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -215.153946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.153946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.153946 (E_RNA)
where:
Base-Base interactions energy: -137.974
where: short stacking energy: -71.919
Base-Backbone interact. energy: -0.995
local terms energy: -76.184573
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -209.069572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.069572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.069572 (E_RNA)
where:
Base-Base interactions energy: -139.482
where: short stacking energy: -65.912
Base-Backbone interact. energy: -0.012
local terms energy: -69.575443
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -12.620
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: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -191.603617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.603617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.603617 (E_RNA)
where:
Base-Base interactions energy: -130.234
where: short stacking energy: -49.406
Base-Backbone interact. energy: -0.468
local terms energy: -60.901639
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -10.491
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: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -209.990097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.990097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.990097 (E_RNA)
where:
Base-Base interactions energy: -138.656
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.090
local terms energy: -71.244739
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -176.925261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.925261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.925261 (E_RNA)
where:
Base-Base interactions energy: -109.735
where: short stacking energy: -44.727
Base-Backbone interact. energy: -1.010
local terms energy: -66.179994
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -13.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -90.131579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.131579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.131579 (E_RNA)
where:
Base-Base interactions energy: -30.419
where: short stacking energy: -24.981
Base-Backbone interact. energy: -0.131
local terms energy: -59.581726
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -85.579884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.579884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.579884 (E_RNA)
where:
Base-Base interactions energy: -36.840
where: short stacking energy: -26.919
Base-Backbone interact. energy: -0.754
local terms energy: -47.986192
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -2.414
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: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -90.680644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.680644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.680644 (E_RNA)
where:
Base-Base interactions energy: -38.155
where: short stacking energy: -38.155
Base-Backbone interact. energy: -0.177
local terms energy: -52.348466
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -9.108
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: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -94.391735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.391735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.391735 (E_RNA)
where:
Base-Base interactions energy: -39.443
where: short stacking energy: -39.443
Base-Backbone interact. energy: -0.201
local terms energy: -54.747709
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -238.951499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.951499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.951499 (E_RNA)
where:
Base-Base interactions energy: -156.855
where: short stacking energy: -64.794
Base-Backbone interact. energy: -0.349
local terms energy: -81.746932
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -218.132604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.132604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.132604 (E_RNA)
where:
Base-Base interactions energy: -142.045
where: short stacking energy: -75.632
Base-Backbone interact. energy: -0.001
local terms energy: -76.086104
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -5.345
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: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -214.946239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.946239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.946239 (E_RNA)
where:
Base-Base interactions energy: -136.049
where: short stacking energy: -73.183
Base-Backbone interact. energy: 0.951
local terms energy: -79.847652
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -14.615
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: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -176.825795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.825795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.825795 (E_RNA)
where:
Base-Base interactions energy: -102.888
where: short stacking energy: -51.504
Base-Backbone interact. energy: -0.917
local terms energy: -73.021420
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -13.915
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: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -196.813511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.813511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.813511 (E_RNA)
where:
Base-Base interactions energy: -125.035
where: short stacking energy: -57.539
Base-Backbone interact. energy: -0.755
local terms energy: -71.022962
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -12.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -191.986336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.986336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.986336 (E_RNA)
where:
Base-Base interactions energy: -128.814
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.463
local terms energy: -62.708791
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -11.707
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: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -104.974513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.974513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.974513 (E_RNA)
where:
Base-Base interactions energy: -51.706
where: short stacking energy: -40.831
Base-Backbone interact. energy: 1.054
local terms energy: -54.322269
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -10.524
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: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -100.481313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.481313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.481313 (E_RNA)
where:
Base-Base interactions energy: -47.351
where: short stacking energy: -45.524
Base-Backbone interact. energy: 1.511
local terms energy: -54.641302
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -94.925921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.925921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.925921 (E_RNA)
where:
Base-Base interactions energy: -38.844
where: short stacking energy: -38.844
Base-Backbone interact. energy: 1.167
local terms energy: -57.249640
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -6.562
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -85.545746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.545746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.545746 (E_RNA)
where:
Base-Base interactions energy: -29.351
where: short stacking energy: -28.604
Base-Backbone interact. energy: -0.069
local terms energy: -56.125537
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -4.592
tors. eta vs tors. theta energy: -5.139
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: 1, replica: 6
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -247.299319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.299319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.299319 (E_RNA)
where:
Base-Base interactions energy: -163.035
where: short stacking energy: -69.183
Base-Backbone interact. energy: -0.387
local terms energy: -83.876955
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -212.327754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.327754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.327754 (E_RNA)
where:
Base-Base interactions energy: -139.085
where: short stacking energy: -62.135
Base-Backbone interact. energy: -1.202
local terms energy: -72.041056
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -16.789
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: 405
Temperature: 1.000000
Total energy: -222.207960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.207960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.207960 (E_RNA)
where:
Base-Base interactions energy: -146.022
where: short stacking energy: -70.510
Base-Backbone interact. energy: -0.142
local terms energy: -76.044103
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -207.844748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.844748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.844748 (E_RNA)
where:
Base-Base interactions energy: -128.761
where: short stacking energy: -61.516
Base-Backbone interact. energy: -0.570
local terms energy: -78.514085
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -13.031
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: 405
Temperature: 1.100000
Total energy: -186.830074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.830074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.830074 (E_RNA)
where:
Base-Base interactions energy: -118.269
where: short stacking energy: -50.883
Base-Backbone interact. energy: 1.442
local terms energy: -70.003348
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -179.676628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.676628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.676628 (E_RNA)
where:
Base-Base interactions energy: -118.896
where: short stacking energy: -57.756
Base-Backbone interact. energy: -0.147
local terms energy: -60.634129
where:
bonds (distance) C4'-P energy: -8.037
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -116.163566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.163566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.163566 (E_RNA)
where:
Base-Base interactions energy: -54.965
where: short stacking energy: -49.084
Base-Backbone interact. energy: -0.046
local terms energy: -61.152394
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -8.628
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: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -96.467291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.467291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.467291 (E_RNA)
where:
Base-Base interactions energy: -38.986
where: short stacking energy: -38.579
Base-Backbone interact. energy: -0.014
local terms energy: -57.467306
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -6.530
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: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -85.591393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.591393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.591393 (E_RNA)
where:
Base-Base interactions energy: -33.576
where: short stacking energy: -29.001
Base-Backbone interact. energy: -0.159
local terms energy: -51.857012
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -78.014697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.014697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.014697 (E_RNA)
where:
Base-Base interactions energy: -27.116
where: short stacking energy: -22.293
Base-Backbone interact. energy: -0.571
local terms energy: -50.327998
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -8.854
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: 1, replica: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -236.975620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.975620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.975620 (E_RNA)
where:
Base-Base interactions energy: -158.859
where: short stacking energy: -65.827
Base-Backbone interact. energy: -0.338
local terms energy: -77.778358
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -18.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -231.774521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.774521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.774521 (E_RNA)
where:
Base-Base interactions energy: -150.491
where: short stacking energy: -78.703
Base-Backbone interact. energy: -0.641
local terms energy: -80.642929
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -229.938263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.938263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.938263 (E_RNA)
where:
Base-Base interactions energy: -148.251
where: short stacking energy: -81.254
Base-Backbone interact. energy: -0.005
local terms energy: -81.682752
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -22.422
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: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -211.187053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.187053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.187053 (E_RNA)
where:
Base-Base interactions energy: -140.529
where: short stacking energy: -63.566
Base-Backbone interact. energy: 1.378
local terms energy: -72.035796
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -169.129535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.129535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.129535 (E_RNA)
where:
Base-Base interactions energy: -106.377
where: short stacking energy: -53.963
Base-Backbone interact. energy: 0.795
local terms energy: -63.547134
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -153.970372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.970372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.970372 (E_RNA)
where:
Base-Base interactions energy: -104.293
where: short stacking energy: -48.388
Base-Backbone interact. energy: -0.456
local terms energy: -49.221285
where:
bonds (distance) C4'-P energy: -8.457
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: -8.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -102.880066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.880066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.880066 (E_RNA)
where:
Base-Base interactions energy: -47.796
where: short stacking energy: -47.796
Base-Backbone interact. energy: -0.233
local terms energy: -54.851795
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -97.000402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.000402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.000402 (E_RNA)
where:
Base-Base interactions energy: -37.804
where: short stacking energy: -37.804
Base-Backbone interact. energy: -0.061
local terms energy: -59.135676
where:
bonds (distance) C4'-P energy: -9.417
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -7.216
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: 406
Temperature: 1.300000
Total energy: -87.604597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.604597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.604597 (E_RNA)
where:
Base-Base interactions energy: -34.299
where: short stacking energy: -31.860
Base-Backbone interact. energy: -0.034
local terms energy: -53.271908
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -8.127
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: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -77.122642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.122642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.122642 (E_RNA)
where:
Base-Base interactions energy: -29.454
where: short stacking energy: -29.454
Base-Backbone interact. energy: -0.157
local terms energy: -47.512084
where:
bonds (distance) C4'-P energy: -8.880
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -14.784
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: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -244.380963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.380963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.380963 (E_RNA)
where:
Base-Base interactions energy: -159.364
where: short stacking energy: -67.812
Base-Backbone interact. energy: -0.083
local terms energy: -84.933910
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -22.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -219.889759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.889759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.889759 (E_RNA)
where:
Base-Base interactions energy: -141.711
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.126
local terms energy: -78.052561
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -11.086
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: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -212.058512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.058512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.058512 (E_RNA)
where:
Base-Base interactions energy: -137.142
where: short stacking energy: -65.279
Base-Backbone interact. energy: -0.262
local terms energy: -74.654057
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -6.805
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: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -186.712760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.712760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.712760 (E_RNA)
where:
Base-Base interactions energy: -120.336
where: short stacking energy: -54.406
Base-Backbone interact. energy: -0.330
local terms energy: -66.047540
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -5.106
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: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -164.662890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.662890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.662890 (E_RNA)
where:
Base-Base interactions energy: -104.851
where: short stacking energy: -50.398
Base-Backbone interact. energy: -0.356
local terms energy: -59.456114
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -9.165
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -9.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -176.220632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.220632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.220632 (E_RNA)
where:
Base-Base interactions energy: -110.126
where: short stacking energy: -49.919
Base-Backbone interact. energy: -0.042
local terms energy: -66.052702
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -9.572
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: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -110.385892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.385892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.385892 (E_RNA)
where:
Base-Base interactions energy: -46.601
where: short stacking energy: -37.548
Base-Backbone interact. energy: -0.066
local terms energy: -63.719161
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -6.172
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: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -94.910780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.910780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.910780 (E_RNA)
where:
Base-Base interactions energy: -35.820
where: short stacking energy: -33.397
Base-Backbone interact. energy: -0.235
local terms energy: -58.855194
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: 1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -88.589198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.589198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.589198 (E_RNA)
where:
Base-Base interactions energy: -32.260
where: short stacking energy: -32.260
Base-Backbone interact. energy: -0.297
local terms energy: -56.032167
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -85.840163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.840163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.840163 (E_RNA)
where:
Base-Base interactions energy: -39.030
where: short stacking energy: -34.379
Base-Backbone interact. energy: -0.417
local terms energy: -46.393354
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -237.651037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.651037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.651037 (E_RNA)
where:
Base-Base interactions energy: -155.493
where: short stacking energy: -72.040
Base-Backbone interact. energy: -0.179
local terms energy: -81.979220
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -217.478469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.478469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.478469 (E_RNA)
where:
Base-Base interactions energy: -138.078
where: short stacking energy: -68.054
Base-Backbone interact. energy: -0.046
local terms energy: -79.353746
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -18.086
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: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -217.078934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.078934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.078934 (E_RNA)
where:
Base-Base interactions energy: -141.786
where: short stacking energy: -66.350
Base-Backbone interact. energy: -0.104
local terms energy: -75.189316
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -201.911855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.911855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.911855 (E_RNA)
where:
Base-Base interactions energy: -132.742
where: short stacking energy: -61.994
Base-Backbone interact. energy: -0.194
local terms energy: -68.975850
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -178.896539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.896539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.896539 (E_RNA)
where:
Base-Base interactions energy: -110.501
where: short stacking energy: -53.091
Base-Backbone interact. energy: -0.095
local terms energy: -68.299887
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -166.702259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.702259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.702259 (E_RNA)
where:
Base-Base interactions energy: -100.874
where: short stacking energy: -42.375
Base-Backbone interact. energy: -0.806
local terms energy: -65.021579
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -8.598
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: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -99.488404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.488404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.488404 (E_RNA)
where:
Base-Base interactions energy: -40.384
where: short stacking energy: -39.236
Base-Backbone interact. energy: -0.100
local terms energy: -59.004412
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -7.756
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: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -90.971964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.971964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.971964 (E_RNA)
where:
Base-Base interactions energy: -34.463
where: short stacking energy: -34.080
Base-Backbone interact. energy: -0.130
local terms energy: -56.378802
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -4.974
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: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -90.655618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.655618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.655618 (E_RNA)
where:
Base-Base interactions energy: -51.857
where: short stacking energy: -32.219
Base-Backbone interact. energy: -1.594
local terms energy: -37.205547
where:
bonds (distance) C4'-P energy: -7.995
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -4.282
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: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -97.340936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.340936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.340936 (E_RNA)
where:
Base-Base interactions energy: -44.370
where: short stacking energy: -28.554
Base-Backbone interact. energy: -0.096
local terms energy: -52.874571
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -250.562085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.562085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.562085 (E_RNA)
where:
Base-Base interactions energy: -167.549
where: short stacking energy: -74.661
Base-Backbone interact. energy: -0.406
local terms energy: -82.606805
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -17.778
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: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -210.723909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.723909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.723909 (E_RNA)
where:
Base-Base interactions energy: -136.359
where: short stacking energy: -72.135
Base-Backbone interact. energy: -0.067
local terms energy: -74.297696
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -225.064402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.064402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.064402 (E_RNA)
where:
Base-Base interactions energy: -151.121
where: short stacking energy: -81.404
Base-Backbone interact. energy: -0.402
local terms energy: -73.541021
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -20.187
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: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -173.998585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.998585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.998585 (E_RNA)
where:
Base-Base interactions energy: -106.783
where: short stacking energy: -47.787
Base-Backbone interact. energy: -0.258
local terms energy: -66.957555
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -13.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -189.110843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.110843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.110843 (E_RNA)
where:
Base-Base interactions energy: -116.274
where: short stacking energy: -62.178
Base-Backbone interact. energy: -0.494
local terms energy: -72.343263
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -15.681
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: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -170.719118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.719118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.719118 (E_RNA)
where:
Base-Base interactions energy: -107.628
where: short stacking energy: -51.022
Base-Backbone interact. energy: -0.589
local terms energy: -62.503028
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -11.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -96.306592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.306592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.306592 (E_RNA)
where:
Base-Base interactions energy: -36.797
where: short stacking energy: -30.502
Base-Backbone interact. energy: -0.466
local terms energy: -59.044336
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -13.390
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: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -93.853094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.853094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.853094 (E_RNA)
where:
Base-Base interactions energy: -43.568
where: short stacking energy: -40.832
Base-Backbone interact. energy: -0.113
local terms energy: -50.172068
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -5.150
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: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -85.696460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.696460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.696460 (E_RNA)
where:
Base-Base interactions energy: -34.983
where: short stacking energy: -30.423
Base-Backbone interact. energy: 1.740
local terms energy: -52.453900
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -91.198222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.198222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.198222 (E_RNA)
where:
Base-Base interactions energy: -32.123
where: short stacking energy: -32.123
Base-Backbone interact. energy: -0.475
local terms energy: -58.599712
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -3.158
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: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -247.461817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.461817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.461817 (E_RNA)
where:
Base-Base interactions energy: -170.485
where: short stacking energy: -71.061
Base-Backbone interact. energy: -1.147
local terms energy: -75.830637
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -210.601646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.601646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.601646 (E_RNA)
where:
Base-Base interactions energy: -134.698
where: short stacking energy: -69.761
Base-Backbone interact. energy: -0.624
local terms energy: -75.280225
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -11.649
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: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -210.955731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.955731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.955731 (E_RNA)
where:
Base-Base interactions energy: -135.018
where: short stacking energy: -64.643
Base-Backbone interact. energy: -0.971
local terms energy: -74.965966
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -170.386863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.386863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.386863 (E_RNA)
where:
Base-Base interactions energy: -110.499
where: short stacking energy: -38.475
Base-Backbone interact. energy: -0.662
local terms energy: -59.226599
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -187.945882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.945882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.945882 (E_RNA)
where:
Base-Base interactions energy: -121.819
where: short stacking energy: -63.350
Base-Backbone interact. energy: -0.023
local terms energy: -66.103841
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -13.001
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: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -179.336904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.336904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.336904 (E_RNA)
where:
Base-Base interactions energy: -117.179
where: short stacking energy: -50.117
Base-Backbone interact. energy: -0.677
local terms energy: -61.480947
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -14.465
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: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -98.198804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.198804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.198804 (E_RNA)
where:
Base-Base interactions energy: -38.339
where: short stacking energy: -29.057
Base-Backbone interact. energy: -1.055
local terms energy: -58.804209
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -8.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -99.201004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.201004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.201004 (E_RNA)
where:
Base-Base interactions energy: -45.493
where: short stacking energy: -34.971
Base-Backbone interact. energy: -0.120
local terms energy: -53.587447
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -83.424265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.424265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.424265 (E_RNA)
where:
Base-Base interactions energy: -36.320
where: short stacking energy: -24.493
Base-Backbone interact. energy: 0.397
local terms energy: -47.502097
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: 0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -81.342514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.342514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.342514 (E_RNA)
where:
Base-Base interactions energy: -28.876
where: short stacking energy: -28.876
Base-Backbone interact. energy: -0.031
local terms energy: -52.435039
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -243.726477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.726477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.726477 (E_RNA)
where:
Base-Base interactions energy: -158.189
where: short stacking energy: -65.674
Base-Backbone interact. energy: -0.628
local terms energy: -84.909707
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -11.494
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: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -216.519051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.519051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.519051 (E_RNA)
where:
Base-Base interactions energy: -143.526
where: short stacking energy: -71.377
Base-Backbone interact. energy: -1.437
local terms energy: -71.555534
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -213.492691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.492691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.492691 (E_RNA)
where:
Base-Base interactions energy: -134.922
where: short stacking energy: -69.214
Base-Backbone interact. energy: 0.023
local terms energy: -78.593848
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -21.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -203.439005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.439005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.439005 (E_RNA)
where:
Base-Base interactions energy: -135.936
where: short stacking energy: -62.113
Base-Backbone interact. energy: -0.044
local terms energy: -67.459187
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -183.060965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.060965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.060965 (E_RNA)
where:
Base-Base interactions energy: -115.827
where: short stacking energy: -56.978
Base-Backbone interact. energy: 0.724
local terms energy: -67.958160
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -160.009655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.009655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.009655 (E_RNA)
where:
Base-Base interactions energy: -102.676
where: short stacking energy: -50.024
Base-Backbone interact. energy: -0.417
local terms energy: -56.917343
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -11.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -103.879827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.879827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.879827 (E_RNA)
where:
Base-Base interactions energy: -53.966
where: short stacking energy: -35.166
Base-Backbone interact. energy: -0.154
local terms energy: -49.759727
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -106.627855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.627855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.627855 (E_RNA)
where:
Base-Base interactions energy: -45.127
where: short stacking energy: -39.904
Base-Backbone interact. energy: -0.008
local terms energy: -61.492529
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -84.802082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.802082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.802082 (E_RNA)
where:
Base-Base interactions energy: -35.934
where: short stacking energy: -29.906
Base-Backbone interact. energy: -0.208
local terms energy: -48.659557
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -3.118
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -89.312249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.312249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.312249 (E_RNA)
where:
Base-Base interactions energy: -34.900
where: short stacking energy: -31.396
Base-Backbone interact. energy: 0.585
local terms energy: -54.997330
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -7.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -236.884848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.884848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.884848 (E_RNA)
where:
Base-Base interactions energy: -158.653
where: short stacking energy: -67.370
Base-Backbone interact. energy: -0.519
local terms energy: -77.712611
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -216.056041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.056041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.056041 (E_RNA)
where:
Base-Base interactions energy: -136.735
where: short stacking energy: -67.093
Base-Backbone interact. energy: 0.553
local terms energy: -79.873228
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -10.820
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: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -223.462936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.462936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.462936 (E_RNA)
where:
Base-Base interactions energy: -142.114
where: short stacking energy: -68.038
Base-Backbone interact. energy: -0.001
local terms energy: -81.348168
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -13.131
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: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -206.806573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.806573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.806573 (E_RNA)
where:
Base-Base interactions energy: -130.019
where: short stacking energy: -61.961
Base-Backbone interact. energy: 0.112
local terms energy: -76.899739
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -20.525
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: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -163.902233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.902233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.902233 (E_RNA)
where:
Base-Base interactions energy: -94.893
where: short stacking energy: -54.953
Base-Backbone interact. energy: -0.784
local terms energy: -68.225527
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -7.346
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: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -187.146768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.146768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.146768 (E_RNA)
where:
Base-Base interactions energy: -119.393
where: short stacking energy: -65.703
Base-Backbone interact. energy: -0.000
local terms energy: -67.753591
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -93.060518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.060518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.060518 (E_RNA)
where:
Base-Base interactions energy: -39.928
where: short stacking energy: -39.928
Base-Backbone interact. energy: -0.038
local terms energy: -53.094947
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -100.912724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.912724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.912724 (E_RNA)
where:
Base-Base interactions energy: -49.319
where: short stacking energy: -43.123
Base-Backbone interact. energy: -0.192
local terms energy: -51.402133
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -8.670
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -95.617112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.617112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.617112 (E_RNA)
where:
Base-Base interactions energy: -35.957
where: short stacking energy: -35.957
Base-Backbone interact. energy: -0.016
local terms energy: -59.643514
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -10.562
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: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -85.269791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.269791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.269791 (E_RNA)
where:
Base-Base interactions energy: -32.553
where: short stacking energy: -26.234
Base-Backbone interact. energy: -0.022
local terms energy: -52.694750
where:
bonds (distance) C4'-P energy: -8.896
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -243.049832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.049832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.049832 (E_RNA)
where:
Base-Base interactions energy: -164.331
where: short stacking energy: -84.443
Base-Backbone interact. energy: 1.280
local terms energy: -79.998681
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -223.907399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.907399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.907399 (E_RNA)
where:
Base-Base interactions energy: -149.202
where: short stacking energy: -74.336
Base-Backbone interact. energy: -0.020
local terms energy: -74.685229
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -21.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -180.862782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.862782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.862782 (E_RNA)
where:
Base-Base interactions energy: -116.794
where: short stacking energy: -58.723
Base-Backbone interact. energy: -0.971
local terms energy: -63.098325
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -11.100
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: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -198.891790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.891790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.891790 (E_RNA)
where:
Base-Base interactions energy: -121.927
where: short stacking energy: -63.913
Base-Backbone interact. energy: -0.050
local terms energy: -76.914373
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -166.105395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.105395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.105395 (E_RNA)
where:
Base-Base interactions energy: -99.093
where: short stacking energy: -52.179
Base-Backbone interact. energy: -1.032
local terms energy: -65.981176
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -8.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -200.240076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.240076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.240076 (E_RNA)
where:
Base-Base interactions energy: -126.760
where: short stacking energy: -58.546
Base-Backbone interact. energy: -1.130
local terms energy: -72.350361
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -13.097
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: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -100.290820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.290820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.290820 (E_RNA)
where:
Base-Base interactions energy: -45.000
where: short stacking energy: -35.140
Base-Backbone interact. energy: -0.185
local terms energy: -55.106322
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -9.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -93.333217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.333217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.333217 (E_RNA)
where:
Base-Base interactions energy: -36.339
where: short stacking energy: -31.099
Base-Backbone interact. energy: -0.020
local terms energy: -56.974309
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -7.296
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: 413
Temperature: 1.300000
Total energy: -88.007949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.007949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.007949 (E_RNA)
where:
Base-Base interactions energy: -34.953
where: short stacking energy: -34.916
Base-Backbone interact. energy: -0.180
local terms energy: -52.875048
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -90.118010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.118010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.118010 (E_RNA)
where:
Base-Base interactions energy: -35.487
where: short stacking energy: -33.848
Base-Backbone interact. energy: -0.277
local terms energy: -54.354707
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -6.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -236.845473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.845473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.845473 (E_RNA)
where:
Base-Base interactions energy: -153.348
where: short stacking energy: -68.357
Base-Backbone interact. energy: -1.684
local terms energy: -81.813352
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -220.430827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.430827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.430827 (E_RNA)
where:
Base-Base interactions energy: -152.293
where: short stacking energy: -78.249
Base-Backbone interact. energy: -0.042
local terms energy: -68.095968
where:
bonds (distance) C4'-P energy: -5.437
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -11.278
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: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -213.500133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.500133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.500133 (E_RNA)
where:
Base-Base interactions energy: -139.543
where: short stacking energy: -79.116
Base-Backbone interact. energy: -0.001
local terms energy: -73.956755
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -20.595
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: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -193.336997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.336997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.336997 (E_RNA)
where:
Base-Base interactions energy: -122.901
where: short stacking energy: -56.045
Base-Backbone interact. energy: -0.318
local terms energy: -70.118238
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -198.174945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.174945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.174945 (E_RNA)
where:
Base-Base interactions energy: -130.511
where: short stacking energy: -65.079
Base-Backbone interact. energy: -0.622
local terms energy: -67.042083
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -15.219
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: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -153.634811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.634811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.634811 (E_RNA)
where:
Base-Base interactions energy: -96.263
where: short stacking energy: -51.743
Base-Backbone interact. energy: -0.533
local terms energy: -56.838813
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -99.932707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.932707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.932707 (E_RNA)
where:
Base-Base interactions energy: -47.037
where: short stacking energy: -42.858
Base-Backbone interact. energy: -0.112
local terms energy: -52.783017
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -9.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -95.313699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.313699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.313699 (E_RNA)
where:
Base-Base interactions energy: -49.159
where: short stacking energy: -30.260
Base-Backbone interact. energy: -0.214
local terms energy: -45.940581
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: 0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -82.754278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.754278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.754278 (E_RNA)
where:
Base-Base interactions energy: -29.634
where: short stacking energy: -22.786
Base-Backbone interact. energy: -0.962
local terms energy: -52.159103
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -7.296
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: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -91.777727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.777727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.777727 (E_RNA)
where:
Base-Base interactions energy: -35.118
where: short stacking energy: -30.539
Base-Backbone interact. energy: -0.259
local terms energy: -56.400463
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -9.881
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: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -244.643273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.643273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.643273 (E_RNA)
where:
Base-Base interactions energy: -172.131
where: short stacking energy: -71.655
Base-Backbone interact. energy: -0.049
local terms energy: -72.463562
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -19.722
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: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -217.024744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.024744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.024744 (E_RNA)
where:
Base-Base interactions energy: -136.678
where: short stacking energy: -70.854
Base-Backbone interact. energy: -0.010
local terms energy: -80.336022
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -18.938
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: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -214.642096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.642096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.642096 (E_RNA)
where:
Base-Base interactions energy: -143.345
where: short stacking energy: -71.072
Base-Backbone interact. energy: -0.114
local terms energy: -71.183032
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -190.292628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.292628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.292628 (E_RNA)
where:
Base-Base interactions energy: -122.873
where: short stacking energy: -56.099
Base-Backbone interact. energy: -0.011
local terms energy: -67.408482
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -9.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -179.752133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.752133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.752133 (E_RNA)
where:
Base-Base interactions energy: -109.073
where: short stacking energy: -53.091
Base-Backbone interact. energy: -0.079
local terms energy: -70.599749
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -167.627952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.627952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.627952 (E_RNA)
where:
Base-Base interactions energy: -115.505
where: short stacking energy: -45.981
Base-Backbone interact. energy: -0.622
local terms energy: -51.501377
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -88.480231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.480231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.480231 (E_RNA)
where:
Base-Base interactions energy: -33.804
where: short stacking energy: -29.610
Base-Backbone interact. energy: -0.225
local terms energy: -54.452143
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -90.493383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.493383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.493383 (E_RNA)
where:
Base-Base interactions energy: -39.912
where: short stacking energy: -39.685
Base-Backbone interact. energy: -0.272
local terms energy: -50.308654
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -8.796
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -86.631985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.631985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.631985 (E_RNA)
where:
Base-Base interactions energy: -36.307
where: short stacking energy: -19.591
Base-Backbone interact. energy: -0.502
local terms energy: -49.823364
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -86.320483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.320483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.320483 (E_RNA)
where:
Base-Base interactions energy: -37.718
where: short stacking energy: -37.202
Base-Backbone interact. energy: -0.124
local terms energy: -48.478317
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -9.505
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -241.823834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.823834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.823834 (E_RNA)
where:
Base-Base interactions energy: -167.509
where: short stacking energy: -68.420
Base-Backbone interact. energy: -0.928
local terms energy: -73.387031
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -21.732
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: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -216.688951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.688951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.688951 (E_RNA)
where:
Base-Base interactions energy: -137.006
where: short stacking energy: -62.226
Base-Backbone interact. energy: -0.198
local terms energy: -79.485089
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -212.321328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.321328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.321328 (E_RNA)
where:
Base-Base interactions energy: -132.305
where: short stacking energy: -71.234
Base-Backbone interact. energy: -0.035
local terms energy: -79.981498
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -22.451
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: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -197.390252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.390252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.390252 (E_RNA)
where:
Base-Base interactions energy: -123.722
where: short stacking energy: -61.205
Base-Backbone interact. energy: -0.022
local terms energy: -73.646697
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -8.223
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: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -163.656858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.656858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.656858 (E_RNA)
where:
Base-Base interactions energy: -106.088
where: short stacking energy: -46.033
Base-Backbone interact. energy: -0.150
local terms energy: -57.418670
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -7.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -158.059808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.059808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.059808 (E_RNA)
where:
Base-Base interactions energy: -99.193
where: short stacking energy: -50.199
Base-Backbone interact. energy: -0.141
local terms energy: -58.725438
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -7.851
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: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -98.897669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.897669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.897669 (E_RNA)
where:
Base-Base interactions energy: -43.002
where: short stacking energy: -42.807
Base-Backbone interact. energy: 0.389
local terms energy: -56.283899
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -104.036762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.036762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.036762 (E_RNA)
where:
Base-Base interactions energy: -51.538
where: short stacking energy: -31.486
Base-Backbone interact. energy: -0.883
local terms energy: -51.616550
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -10.040
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -100.765668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.765668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.765668 (E_RNA)
where:
Base-Base interactions energy: -41.995
where: short stacking energy: -41.995
Base-Backbone interact. energy: -0.020
local terms energy: -58.749942
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -77.406942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.406942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.406942 (E_RNA)
where:
Base-Base interactions energy: -37.904
where: short stacking energy: -20.780
Base-Backbone interact. energy: -0.082
local terms energy: -39.421223
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -5.304
flat angles P-C4'-P energy: -3.345
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: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -243.956751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.956751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.956751 (E_RNA)
where:
Base-Base interactions energy: -159.093
where: short stacking energy: -74.912
Base-Backbone interact. energy: -1.047
local terms energy: -83.816983
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -25.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -217.605346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.605346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.605346 (E_RNA)
where:
Base-Base interactions energy: -142.238
where: short stacking energy: -70.307
Base-Backbone interact. energy: -0.000
local terms energy: -75.366972
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -12.807
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: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -207.891884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.891884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.891884 (E_RNA)
where:
Base-Base interactions energy: -134.364
where: short stacking energy: -67.000
Base-Backbone interact. energy: -0.483
local terms energy: -73.044890
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -15.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -214.761816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.761816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.761816 (E_RNA)
where:
Base-Base interactions energy: -131.031
where: short stacking energy: -65.962
Base-Backbone interact. energy: -0.961
local terms energy: -82.769285
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -172.429786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.429786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.429786 (E_RNA)
where:
Base-Base interactions energy: -109.928
where: short stacking energy: -45.959
Base-Backbone interact. energy: -0.426
local terms energy: -62.075178
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -175.617311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.617311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.617311 (E_RNA)
where:
Base-Base interactions energy: -99.220
where: short stacking energy: -61.321
Base-Backbone interact. energy: -0.155
local terms energy: -76.242198
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -94.681411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.681411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.681411 (E_RNA)
where:
Base-Base interactions energy: -38.679
where: short stacking energy: -37.811
Base-Backbone interact. energy: -0.841
local terms energy: -55.160691
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -10.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -95.113768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.113768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.113768 (E_RNA)
where:
Base-Base interactions energy: -35.153
where: short stacking energy: -33.770
Base-Backbone interact. energy: -0.083
local terms energy: -59.877657
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -108.288583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.288583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.288583 (E_RNA)
where:
Base-Base interactions energy: -54.861
where: short stacking energy: -42.261
Base-Backbone interact. energy: 0.641
local terms energy: -54.068560
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -80.442357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.442357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.442357 (E_RNA)
where:
Base-Base interactions energy: -37.323
where: short stacking energy: -20.353
Base-Backbone interact. energy: -0.190
local terms energy: -42.930116
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -4.758
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -235.441756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.441756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.441756 (E_RNA)
where:
Base-Base interactions energy: -168.364
where: short stacking energy: -68.442
Base-Backbone interact. energy: -0.346
local terms energy: -66.731509
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -15.028
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: 2, replica: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -217.976569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.976569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.976569 (E_RNA)
where:
Base-Base interactions energy: -136.599
where: short stacking energy: -71.512
Base-Backbone interact. energy: -0.009
local terms energy: -81.368569
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -218.929484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.929484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.929484 (E_RNA)
where:
Base-Base interactions energy: -143.218
where: short stacking energy: -77.855
Base-Backbone interact. energy: -0.002
local terms energy: -75.708583
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -215.521513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.521513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.521513 (E_RNA)
where:
Base-Base interactions energy: -138.220
where: short stacking energy: -70.671
Base-Backbone interact. energy: -0.000
local terms energy: -77.301004
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -188.036203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.036203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.036203 (E_RNA)
where:
Base-Base interactions energy: -119.720
where: short stacking energy: -58.546
Base-Backbone interact. energy: -0.581
local terms energy: -67.734831
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -9.211
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: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -176.034305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.034305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.034305 (E_RNA)
where:
Base-Base interactions energy: -101.300
where: short stacking energy: -52.741
Base-Backbone interact. energy: -0.066
local terms energy: -74.667930
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -17.271
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: 418
Temperature: 1.200000
Total energy: -98.161580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.161580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.161580 (E_RNA)
where:
Base-Base interactions energy: -49.477
where: short stacking energy: -33.900
Base-Backbone interact. energy: -0.216
local terms energy: -48.468181
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -8.645
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: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -94.877085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.877085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.877085 (E_RNA)
where:
Base-Base interactions energy: -43.451
where: short stacking energy: -26.524
Base-Backbone interact. energy: -0.118
local terms energy: -51.307585
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -4.368
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: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -85.895215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.895215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.895215 (E_RNA)
where:
Base-Base interactions energy: -31.968
where: short stacking energy: -30.229
Base-Backbone interact. energy: -0.523
local terms energy: -53.404356
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -89.604691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.604691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.604691 (E_RNA)
where:
Base-Base interactions energy: -36.402
where: short stacking energy: -35.515
Base-Backbone interact. energy: -0.010
local terms energy: -53.192809
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -239.493212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.493212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.493212 (E_RNA)
where:
Base-Base interactions energy: -165.167
where: short stacking energy: -70.650
Base-Backbone interact. energy: -0.116
local terms energy: -74.210785
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -217.721034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.721034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.721034 (E_RNA)
where:
Base-Base interactions energy: -147.803
where: short stacking energy: -72.249
Base-Backbone interact. energy: -0.003
local terms energy: -69.914983
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -20.747
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: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -205.581442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.581442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.581442 (E_RNA)
where:
Base-Base interactions energy: -129.147
where: short stacking energy: -59.833
Base-Backbone interact. energy: -1.310
local terms energy: -75.124562
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -13.628
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: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -206.712217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.712217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.712217 (E_RNA)
where:
Base-Base interactions energy: -144.332
where: short stacking energy: -41.923
Base-Backbone interact. energy: -0.177
local terms energy: -62.202997
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -11.174
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: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -199.510992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.510992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.510992 (E_RNA)
where:
Base-Base interactions energy: -133.250
where: short stacking energy: -62.355
Base-Backbone interact. energy: 0.205
local terms energy: -66.465690
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -21.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -173.203094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.203094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.203094 (E_RNA)
where:
Base-Base interactions energy: -111.432
where: short stacking energy: -60.774
Base-Backbone interact. energy: -0.034
local terms energy: -61.737103
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -9.067
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: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -114.090596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.090596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.090596 (E_RNA)
where:
Base-Base interactions energy: -49.684
where: short stacking energy: -47.636
Base-Backbone interact. energy: -0.027
local terms energy: -64.379563
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -13.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -83.373547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.373547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.373547 (E_RNA)
where:
Base-Base interactions energy: -30.716
where: short stacking energy: -30.720
Base-Backbone interact. energy: -0.415
local terms energy: -52.242711
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -7.531
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: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -94.146795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.146795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.146795 (E_RNA)
where:
Base-Base interactions energy: -39.311
where: short stacking energy: -39.311
Base-Backbone interact. energy: -0.764
local terms energy: -54.071974
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -11.141
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: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -79.849072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.849072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.849072 (E_RNA)
where:
Base-Base interactions energy: -33.436
where: short stacking energy: -24.892
Base-Backbone interact. energy: 0.570
local terms energy: -46.983176
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -238.183078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.183078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.183078 (E_RNA)
where:
Base-Base interactions energy: -152.911
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.054
local terms energy: -85.218636
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -222.287034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.287034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.287034 (E_RNA)
where:
Base-Base interactions energy: -148.530
where: short stacking energy: -81.760
Base-Backbone interact. energy: -0.579
local terms energy: -73.178134
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -226.340921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.340921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.340921 (E_RNA)
where:
Base-Base interactions energy: -150.045
where: short stacking energy: -59.008
Base-Backbone interact. energy: -0.066
local terms energy: -76.230123
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -15.971
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: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -210.528705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.528705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.528705 (E_RNA)
where:
Base-Base interactions energy: -138.195
where: short stacking energy: -67.369
Base-Backbone interact. energy: 0.196
local terms energy: -72.529815
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -189.447590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.447590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.447590 (E_RNA)
where:
Base-Base interactions energy: -120.690
where: short stacking energy: -55.720
Base-Backbone interact. energy: -1.585
local terms energy: -67.172763
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -14.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -172.425640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.425640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.425640 (E_RNA)
where:
Base-Base interactions energy: -108.326
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.835
local terms energy: -63.264828
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -4.999
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: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -98.795063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.795063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.795063 (E_RNA)
where:
Base-Base interactions energy: -43.396
where: short stacking energy: -43.396
Base-Backbone interact. energy: -0.132
local terms energy: -55.266880
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -6.286
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: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -100.614685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.614685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.614685 (E_RNA)
where:
Base-Base interactions energy: -46.944
where: short stacking energy: -40.809
Base-Backbone interact. energy: -0.325
local terms energy: -53.345762
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -10.466
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -91.142364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.142364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.142364 (E_RNA)
where:
Base-Base interactions energy: -35.254
where: short stacking energy: -29.270
Base-Backbone interact. energy: -0.022
local terms energy: -55.866037
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -78.213719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.213719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.213719 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -26.806
Base-Backbone interact. energy: -0.275
local terms energy: -41.583347
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -5.989
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: 2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -238.020634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.020634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.020634 (E_RNA)
where:
Base-Base interactions energy: -161.144
where: short stacking energy: -63.949
Base-Backbone interact. energy: -0.121
local terms energy: -76.755908
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -14.241
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: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -228.336957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.336957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.336957 (E_RNA)
where:
Base-Base interactions energy: -152.505
where: short stacking energy: -60.780
Base-Backbone interact. energy: -0.111
local terms energy: -75.720685
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -215.080776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.080776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.080776 (E_RNA)
where:
Base-Base interactions energy: -138.954
where: short stacking energy: -61.323
Base-Backbone interact. energy: -0.394
local terms energy: -75.733186
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -203.339916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.339916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.339916 (E_RNA)
where:
Base-Base interactions energy: -138.264
where: short stacking energy: -69.353
Base-Backbone interact. energy: -0.607
local terms energy: -64.468503
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -180.157646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.157646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.157646 (E_RNA)
where:
Base-Base interactions energy: -111.859
where: short stacking energy: -49.600
Base-Backbone interact. energy: -0.005
local terms energy: -68.293776
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -164.750242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.750242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.750242 (E_RNA)
where:
Base-Base interactions energy: -107.529
where: short stacking energy: -51.588
Base-Backbone interact. energy: -0.006
local terms energy: -57.215312
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -97.719107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.719107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.719107 (E_RNA)
where:
Base-Base interactions energy: -48.045
where: short stacking energy: -30.614
Base-Backbone interact. energy: -0.124
local terms energy: -49.549987
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -97.855364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.855364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.855364 (E_RNA)
where:
Base-Base interactions energy: -38.234
where: short stacking energy: -30.652
Base-Backbone interact. energy: -0.024
local terms energy: -59.597157
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -13.774
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: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -82.702842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.702842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.702842 (E_RNA)
where:
Base-Base interactions energy: -29.441
where: short stacking energy: -21.852
Base-Backbone interact. energy: -0.019
local terms energy: -53.242479
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -78.984313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.984313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.984313 (E_RNA)
where:
Base-Base interactions energy: -37.643
where: short stacking energy: -28.226
Base-Backbone interact. energy: -0.150
local terms energy: -41.191236
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -221.794489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.794489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.794489 (E_RNA)
where:
Base-Base interactions energy: -154.360
where: short stacking energy: -56.920
Base-Backbone interact. energy: -0.573
local terms energy: -66.861903
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -10.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -227.131243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.131243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.131243 (E_RNA)
where:
Base-Base interactions energy: -151.451
where: short stacking energy: -62.620
Base-Backbone interact. energy: -0.392
local terms energy: -75.288019
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -204.906005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.906005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.906005 (E_RNA)
where:
Base-Base interactions energy: -128.628
where: short stacking energy: -69.309
Base-Backbone interact. energy: 0.464
local terms energy: -76.742440
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -199.746534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.746534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.746534 (E_RNA)
where:
Base-Base interactions energy: -130.902
where: short stacking energy: -56.338
Base-Backbone interact. energy: -0.081
local terms energy: -68.763156
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -13.022
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: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -170.804570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.804570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.804570 (E_RNA)
where:
Base-Base interactions energy: -106.924
where: short stacking energy: -54.088
Base-Backbone interact. energy: -0.078
local terms energy: -63.802533
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -12.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -154.329740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.329740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.329740 (E_RNA)
where:
Base-Base interactions energy: -89.769
where: short stacking energy: -49.495
Base-Backbone interact. energy: -0.231
local terms energy: -64.329265
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -14.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -86.077120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.077120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.077120 (E_RNA)
where:
Base-Base interactions energy: -30.011
where: short stacking energy: -24.242
Base-Backbone interact. energy: -0.143
local terms energy: -55.922512
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -10.987
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: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -91.600195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.600195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.600195 (E_RNA)
where:
Base-Base interactions energy: -40.997
where: short stacking energy: -37.946
Base-Backbone interact. energy: -0.354
local terms energy: -50.249108
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -97.283821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.283821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.283821 (E_RNA)
where:
Base-Base interactions energy: -42.662
where: short stacking energy: -32.103
Base-Backbone interact. energy: -0.118
local terms energy: -54.503123
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -8.533
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: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -83.871194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.871194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.871194 (E_RNA)
where:
Base-Base interactions energy: -30.495
where: short stacking energy: -30.495
Base-Backbone interact. energy: -0.103
local terms energy: -53.273236
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -216.301881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.301881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.301881 (E_RNA)
where:
Base-Base interactions energy: -138.435
where: short stacking energy: -56.781
Base-Backbone interact. energy: -0.981
local terms energy: -76.886239
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -231.784099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.784099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.784099 (E_RNA)
where:
Base-Base interactions energy: -152.541
where: short stacking energy: -68.085
Base-Backbone interact. energy: -0.308
local terms energy: -78.934528
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -216.520616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.520616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.520616 (E_RNA)
where:
Base-Base interactions energy: -139.588
where: short stacking energy: -72.812
Base-Backbone interact. energy: -0.001
local terms energy: -76.931433
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -9.286
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: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -202.761948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.761948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.761948 (E_RNA)
where:
Base-Base interactions energy: -133.415
where: short stacking energy: -66.753
Base-Backbone interact. energy: -0.127
local terms energy: -69.219856
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -1.538
tors. eta vs tors. theta energy: -19.483
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: 423
Temperature: 1.100000
Total energy: -193.373819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.373819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.373819 (E_RNA)
where:
Base-Base interactions energy: -132.579
where: short stacking energy: -55.155
Base-Backbone interact. energy: -0.368
local terms energy: -60.426752
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -8.267
flat angles P-C4'-P energy: -10.834
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: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -163.525055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.525055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.525055 (E_RNA)
where:
Base-Base interactions energy: -103.774
where: short stacking energy: -42.566
Base-Backbone interact. energy: -0.264
local terms energy: -59.487516
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -6.851
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: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -93.848042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.848042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.848042 (E_RNA)
where:
Base-Base interactions energy: -35.356
where: short stacking energy: -28.322
Base-Backbone interact. energy: 1.987
local terms energy: -60.479706
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -93.068128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.068128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.068128 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -25.574
Base-Backbone interact. energy: -0.168
local terms energy: -60.723238
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -85.018794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.018794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.018794 (E_RNA)
where:
Base-Base interactions energy: -32.553
where: short stacking energy: -20.174
Base-Backbone interact. energy: -0.137
local terms energy: -52.328632
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -8.921
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: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -84.628959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.628959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.628959 (E_RNA)
where:
Base-Base interactions energy: -34.574
where: short stacking energy: -31.299
Base-Backbone interact. energy: -0.142
local terms energy: -49.912374
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -216.384490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.384490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.384490 (E_RNA)
where:
Base-Base interactions energy: -144.427
where: short stacking energy: -71.169
Base-Backbone interact. energy: -1.237
local terms energy: -70.720680
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -233.461990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.461990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.461990 (E_RNA)
where:
Base-Base interactions energy: -162.028
where: short stacking energy: -69.031
Base-Backbone interact. energy: -0.306
local terms energy: -71.128112
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -18.175
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: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -209.123459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.123459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.123459 (E_RNA)
where:
Base-Base interactions energy: -134.371
where: short stacking energy: -69.974
Base-Backbone interact. energy: -0.669
local terms energy: -74.084196
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -194.701908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.701908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.701908 (E_RNA)
where:
Base-Base interactions energy: -129.046
where: short stacking energy: -69.492
Base-Backbone interact. energy: 2.250
local terms energy: -67.906445
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -13.382
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: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -185.033131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.033131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.033131 (E_RNA)
where:
Base-Base interactions energy: -123.285
where: short stacking energy: -54.662
Base-Backbone interact. energy: -0.026
local terms energy: -61.721562
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -7.187
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -12.888
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: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -183.268947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.268947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.268947 (E_RNA)
where:
Base-Base interactions energy: -114.093
where: short stacking energy: -60.806
Base-Backbone interact. energy: -0.080
local terms energy: -69.095766
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -117.589200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.589200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.589200 (E_RNA)
where:
Base-Base interactions energy: -61.361
where: short stacking energy: -26.517
Base-Backbone interact. energy: 1.136
local terms energy: -57.364660
where:
bonds (distance) C4'-P energy: -8.193
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: 0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -108.711010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.711010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.711010 (E_RNA)
where:
Base-Base interactions energy: -55.730
where: short stacking energy: -35.375
Base-Backbone interact. energy: -1.086
local terms energy: -51.894832
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -101.708230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.708230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.708230 (E_RNA)
where:
Base-Base interactions energy: -43.959
where: short stacking energy: -30.892
Base-Backbone interact. energy: 0.329
local terms energy: -58.078248
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: 0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -76.753828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.753828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.753828 (E_RNA)
where:
Base-Base interactions energy: -29.278
where: short stacking energy: -29.278
Base-Backbone interact. energy: 3.000
local terms energy: -50.476676
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -230.272444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.272444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.272444 (E_RNA)
where:
Base-Base interactions energy: -154.708
where: short stacking energy: -74.240
Base-Backbone interact. energy: -0.397
local terms energy: -75.168033
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -20.212
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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -215.476345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.476345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.476345 (E_RNA)
where:
Base-Base interactions energy: -133.728
where: short stacking energy: -68.465
Base-Backbone interact. energy: -0.003
local terms energy: -81.744751
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -219.769926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.769926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.769926 (E_RNA)
where:
Base-Base interactions energy: -154.135
where: short stacking energy: -56.655
Base-Backbone interact. energy: -1.040
local terms energy: -64.595415
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -198.903558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.903558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.903558 (E_RNA)
where:
Base-Base interactions energy: -137.531
where: short stacking energy: -61.467
Base-Backbone interact. energy: -0.018
local terms energy: -61.355324
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -2.959
tors. eta vs tors. theta energy: -18.080
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: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -175.141743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.141743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.141743 (E_RNA)
where:
Base-Base interactions energy: -107.149
where: short stacking energy: -57.084
Base-Backbone interact. energy: -0.048
local terms energy: -67.944516
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -10.956
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: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -168.790400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.790400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.790400 (E_RNA)
where:
Base-Base interactions energy: -104.233
where: short stacking energy: -56.057
Base-Backbone interact. energy: -0.968
local terms energy: -63.590222
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -10.237
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: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -101.143656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.143656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.143656 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -33.703
Base-Backbone interact. energy: -0.232
local terms energy: -66.452544
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -94.901624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.901624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.901624 (E_RNA)
where:
Base-Base interactions energy: -41.444
where: short stacking energy: -39.011
Base-Backbone interact. energy: -1.335
local terms energy: -52.122546
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -82.072130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.072130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.072130 (E_RNA)
where:
Base-Base interactions energy: -28.965
where: short stacking energy: -16.435
Base-Backbone interact. energy: -0.217
local terms energy: -52.889777
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -7.472
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -82.203769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.203769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.203769 (E_RNA)
where:
Base-Base interactions energy: -32.692
where: short stacking energy: -32.692
Base-Backbone interact. energy: -0.221
local terms energy: -49.290856
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -233.783416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.783416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.783416 (E_RNA)
where:
Base-Base interactions energy: -156.056
where: short stacking energy: -74.836
Base-Backbone interact. energy: -0.413
local terms energy: -77.314774
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -21.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -225.100649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.100649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.100649 (E_RNA)
where:
Base-Base interactions energy: -140.994
where: short stacking energy: -73.169
Base-Backbone interact. energy: -0.004
local terms energy: -84.102949
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -201.390176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.390176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.390176 (E_RNA)
where:
Base-Base interactions energy: -134.617
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.110
local terms energy: -66.663476
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -7.883
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: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -217.435318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.435318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.435318 (E_RNA)
where:
Base-Base interactions energy: -149.707
where: short stacking energy: -51.574
Base-Backbone interact. energy: -0.311
local terms energy: -67.417385
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -12.098
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: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -177.304850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.304850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.304850 (E_RNA)
where:
Base-Base interactions energy: -120.289
where: short stacking energy: -58.984
Base-Backbone interact. energy: 1.401
local terms energy: -58.416147
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -8.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -175.576693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.576693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.576693 (E_RNA)
where:
Base-Base interactions energy: -107.647
where: short stacking energy: -59.166
Base-Backbone interact. energy: -0.186
local terms energy: -67.744293
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -14.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -104.060899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.060899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.060899 (E_RNA)
where:
Base-Base interactions energy: -46.216
where: short stacking energy: -44.013
Base-Backbone interact. energy: -0.099
local terms energy: -57.745671
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -9.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -95.457764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.457764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.457764 (E_RNA)
where:
Base-Base interactions energy: -46.438
where: short stacking energy: -35.312
Base-Backbone interact. energy: -0.143
local terms energy: -48.876694
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -93.547293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.547293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.547293 (E_RNA)
where:
Base-Base interactions energy: -42.090
where: short stacking energy: -41.523
Base-Backbone interact. energy: -0.179
local terms energy: -51.277651
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -7.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -92.053367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.053367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.053367 (E_RNA)
where:
Base-Base interactions energy: -33.670
where: short stacking energy: -30.745
Base-Backbone interact. energy: -0.409
local terms energy: -57.974304
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -7.921
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: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -225.502376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.502376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.502376 (E_RNA)
where:
Base-Base interactions energy: -148.377
where: short stacking energy: -68.066
Base-Backbone interact. energy: -0.174
local terms energy: -76.951121
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -222.146384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.146384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.146384 (E_RNA)
where:
Base-Base interactions energy: -150.833
where: short stacking energy: -74.069
Base-Backbone interact. energy: -0.007
local terms energy: -71.306500
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -216.306028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.306028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.306028 (E_RNA)
where:
Base-Base interactions energy: -141.090
where: short stacking energy: -69.789
Base-Backbone interact. energy: -0.589
local terms energy: -74.627195
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -210.043340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.043340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.043340 (E_RNA)
where:
Base-Base interactions energy: -145.936
where: short stacking energy: -58.036
Base-Backbone interact. energy: 0.102
local terms energy: -64.209023
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -176.229058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.229058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.229058 (E_RNA)
where:
Base-Base interactions energy: -119.499
where: short stacking energy: -56.842
Base-Backbone interact. energy: 0.066
local terms energy: -56.795420
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -187.100071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.100071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.100071 (E_RNA)
where:
Base-Base interactions energy: -114.146
where: short stacking energy: -66.774
Base-Backbone interact. energy: 0.046
local terms energy: -73.000038
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -102.467384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.467384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.467384 (E_RNA)
where:
Base-Base interactions energy: -31.319
where: short stacking energy: -31.319
Base-Backbone interact. energy: -0.338
local terms energy: -70.810326
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -89.804127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.804127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.804127 (E_RNA)
where:
Base-Base interactions energy: -39.640
where: short stacking energy: -30.753
Base-Backbone interact. energy: -0.404
local terms energy: -49.760510
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -92.093055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.093055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.093055 (E_RNA)
where:
Base-Base interactions energy: -41.098
where: short stacking energy: -33.160
Base-Backbone interact. energy: 0.886
local terms energy: -51.880244
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -88.567648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.567648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.567648 (E_RNA)
where:
Base-Base interactions energy: -40.790
where: short stacking energy: -32.603
Base-Backbone interact. energy: -0.579
local terms energy: -47.199194
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -9.318
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -4.704
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: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -222.103065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.103065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.103065 (E_RNA)
where:
Base-Base interactions energy: -146.963
where: short stacking energy: -74.342
Base-Backbone interact. energy: -0.072
local terms energy: -75.067997
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -223.589819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.589819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.589819 (E_RNA)
where:
Base-Base interactions energy: -147.163
where: short stacking energy: -58.302
Base-Backbone interact. energy: -0.262
local terms energy: -76.164823
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -215.563517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.563517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.563517 (E_RNA)
where:
Base-Base interactions energy: -138.967
where: short stacking energy: -65.499
Base-Backbone interact. energy: -0.719
local terms energy: -75.878500
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -19.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -203.465289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.465289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.465289 (E_RNA)
where:
Base-Base interactions energy: -133.674
where: short stacking energy: -55.158
Base-Backbone interact. energy: -0.661
local terms energy: -69.130431
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -14.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -189.615984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.615984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.615984 (E_RNA)
where:
Base-Base interactions energy: -123.388
where: short stacking energy: -59.159
Base-Backbone interact. energy: 0.281
local terms energy: -66.509776
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -11.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -185.733918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.733918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.733918 (E_RNA)
where:
Base-Base interactions energy: -114.136
where: short stacking energy: -53.430
Base-Backbone interact. energy: -0.143
local terms energy: -71.454656
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -12.032
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: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -99.694101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.694101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.694101 (E_RNA)
where:
Base-Base interactions energy: -39.842
where: short stacking energy: -36.848
Base-Backbone interact. energy: -0.075
local terms energy: -59.777054
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -93.970127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.970127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.970127 (E_RNA)
where:
Base-Base interactions energy: -49.123
where: short stacking energy: -48.697
Base-Backbone interact. energy: -0.333
local terms energy: -44.513231
where:
bonds (distance) C4'-P energy: -6.243
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -92.788705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.788705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.788705 (E_RNA)
where:
Base-Base interactions energy: -41.364
where: short stacking energy: -35.345
Base-Backbone interact. energy: -0.055
local terms energy: -51.369572
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -8.014
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -87.459395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.459395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.459395 (E_RNA)
where:
Base-Base interactions energy: -34.816
where: short stacking energy: -32.175
Base-Backbone interact. energy: 0.498
local terms energy: -53.141995
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -232.963356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.963356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.963356 (E_RNA)
where:
Base-Base interactions energy: -148.734
where: short stacking energy: -76.946
Base-Backbone interact. energy: -0.004
local terms energy: -84.224695
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -20.561
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: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -213.882357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.882357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.882357 (E_RNA)
where:
Base-Base interactions energy: -139.543
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.108
local terms energy: -74.231210
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -225.251114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.251114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.251114 (E_RNA)
where:
Base-Base interactions energy: -151.711
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.132
local terms energy: -73.408709
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -10.912
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: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -190.199988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.199988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.199988 (E_RNA)
where:
Base-Base interactions energy: -120.523
where: short stacking energy: -64.327
Base-Backbone interact. energy: -0.054
local terms energy: -69.622779
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -12.044
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: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -198.507587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.507587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.507587 (E_RNA)
where:
Base-Base interactions energy: -131.498
where: short stacking energy: -51.402
Base-Backbone interact. energy: -1.426
local terms energy: -65.583261
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -7.375
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: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -177.077628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.077628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.077628 (E_RNA)
where:
Base-Base interactions energy: -112.056
where: short stacking energy: -49.256
Base-Backbone interact. energy: 0.612
local terms energy: -65.633147
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -100.441830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.441830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.441830 (E_RNA)
where:
Base-Base interactions energy: -44.966
where: short stacking energy: -38.257
Base-Backbone interact. energy: -1.064
local terms energy: -54.412646
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -8.887
flat angles P-C4'-P energy: -7.897
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: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -103.258780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.258780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.258780 (E_RNA)
where:
Base-Base interactions energy: -54.235
where: short stacking energy: -50.213
Base-Backbone interact. energy: -0.133
local terms energy: -48.890391
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -9.048
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -4.779
tors. eta vs tors. theta energy: -8.285
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: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -81.918587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.918587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.918587 (E_RNA)
where:
Base-Base interactions energy: -33.015
where: short stacking energy: -30.340
Base-Backbone interact. energy: -0.058
local terms energy: -48.845785
where:
bonds (distance) C4'-P energy: -8.551
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -7.009
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -83.066058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.066058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.066058 (E_RNA)
where:
Base-Base interactions energy: -36.230
where: short stacking energy: -36.230
Base-Backbone interact. energy: 0.435
local terms energy: -47.270701
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -8.378
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -227.069451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.069451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.069451 (E_RNA)
where:
Base-Base interactions energy: -144.620
where: short stacking energy: -78.954
Base-Backbone interact. energy: -1.308
local terms energy: -81.141108
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -22.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -210.431956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.431956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.431956 (E_RNA)
where:
Base-Base interactions energy: -132.706
where: short stacking energy: -71.755
Base-Backbone interact. energy: -0.063
local terms energy: -77.662360
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -18.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -225.177851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.177851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.177851 (E_RNA)
where:
Base-Base interactions energy: -141.925
where: short stacking energy: -63.373
Base-Backbone interact. energy: -0.821
local terms energy: -82.431041
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -205.395991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.395991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.395991 (E_RNA)
where:
Base-Base interactions energy: -137.718
where: short stacking energy: -65.422
Base-Backbone interact. energy: -0.148
local terms energy: -67.529800
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -193.384877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.384877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.384877 (E_RNA)
where:
Base-Base interactions energy: -117.975
where: short stacking energy: -64.852
Base-Backbone interact. energy: -0.055
local terms energy: -75.354879
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -18.714
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: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -156.379484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.379484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.379484 (E_RNA)
where:
Base-Base interactions energy: -107.524
where: short stacking energy: -46.375
Base-Backbone interact. energy: -0.716
local terms energy: -48.138761
where:
bonds (distance) C4'-P energy: -6.922
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -95.372625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.372625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.372625 (E_RNA)
where:
Base-Base interactions energy: -42.442
where: short stacking energy: -36.731
Base-Backbone interact. energy: -1.178
local terms energy: -51.752211
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -8.062
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: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -89.407072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.407072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.407072 (E_RNA)
where:
Base-Base interactions energy: -31.019
where: short stacking energy: -30.627
Base-Backbone interact. energy: -0.334
local terms energy: -58.054816
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -86.178128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.178128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.178128 (E_RNA)
where:
Base-Base interactions energy: -37.744
where: short stacking energy: -36.863
Base-Backbone interact. energy: -0.018
local terms energy: -48.416527
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -6.502
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: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -74.395058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.395058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.395058 (E_RNA)
where:
Base-Base interactions energy: -31.434
where: short stacking energy: -26.439
Base-Backbone interact. energy: -0.168
local terms energy: -42.792336
where:
bonds (distance) C4'-P energy: -5.506
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -213.284832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.284832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.284832 (E_RNA)
where:
Base-Base interactions energy: -141.001
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.364
local terms energy: -71.920222
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -19.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -232.265308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.265308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.265308 (E_RNA)
where:
Base-Base interactions energy: -158.314
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.807
local terms energy: -73.144311
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -16.135
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: 431
Temperature: 1.000000
Total energy: -224.569369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.569369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.569369 (E_RNA)
where:
Base-Base interactions energy: -149.073
where: short stacking energy: -71.362
Base-Backbone interact. energy: -1.152
local terms energy: -74.344593
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -200.150216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.150216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.150216 (E_RNA)
where:
Base-Base interactions energy: -134.367
where: short stacking energy: -60.702
Base-Backbone interact. energy: -1.219
local terms energy: -64.564815
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -210.303620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.303620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.303620 (E_RNA)
where:
Base-Base interactions energy: -142.078
where: short stacking energy: -57.678
Base-Backbone interact. energy: -0.507
local terms energy: -67.718437
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -195.838771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.838771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.838771 (E_RNA)
where:
Base-Base interactions energy: -124.788
where: short stacking energy: -55.273
Base-Backbone interact. energy: -0.108
local terms energy: -70.942795
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -15.460
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: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -93.747938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.747938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.747938 (E_RNA)
where:
Base-Base interactions energy: -37.430
where: short stacking energy: -37.430
Base-Backbone interact. energy: -0.087
local terms energy: -56.231170
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -8.374
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: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -94.314441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.314441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.314441 (E_RNA)
where:
Base-Base interactions energy: -38.287
where: short stacking energy: -37.191
Base-Backbone interact. energy: -0.086
local terms energy: -55.941040
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -5.069
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: 431
Temperature: 1.300000
Total energy: -81.243145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.243145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.243145 (E_RNA)
where:
Base-Base interactions energy: -33.396
where: short stacking energy: -30.640
Base-Backbone interact. energy: 0.228
local terms energy: -48.074869
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -110.022445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.022445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.022445 (E_RNA)
where:
Base-Base interactions energy: -53.851
where: short stacking energy: -33.593
Base-Backbone interact. energy: -0.379
local terms energy: -55.793117
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -231.135820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.135820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.135820 (E_RNA)
where:
Base-Base interactions energy: -152.951
where: short stacking energy: -61.740
Base-Backbone interact. energy: -0.355
local terms energy: -77.829884
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -224.377689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.377689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.377689 (E_RNA)
where:
Base-Base interactions energy: -145.983
where: short stacking energy: -75.540
Base-Backbone interact. energy: 0.412
local terms energy: -78.806983
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -19.655
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: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -203.442061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.442061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.442061 (E_RNA)
where:
Base-Base interactions energy: -134.262
where: short stacking energy: -68.570
Base-Backbone interact. energy: 0.485
local terms energy: -69.664434
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -209.609012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.609012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.609012 (E_RNA)
where:
Base-Base interactions energy: -139.577
where: short stacking energy: -56.996
Base-Backbone interact. energy: -0.385
local terms energy: -69.646878
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -15.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -193.226159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.226159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.226159 (E_RNA)
where:
Base-Base interactions energy: -137.456
where: short stacking energy: -70.692
Base-Backbone interact. energy: -1.095
local terms energy: -54.675516
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -2.130
tors. eta vs tors. theta energy: -14.205
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: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -188.527755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.527755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.527755 (E_RNA)
where:
Base-Base interactions energy: -126.033
where: short stacking energy: -60.755
Base-Backbone interact. energy: -0.112
local terms energy: -62.383541
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -89.105807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.105807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.105807 (E_RNA)
where:
Base-Base interactions energy: -33.520
where: short stacking energy: -33.520
Base-Backbone interact. energy: -0.067
local terms energy: -55.518457
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -83.934524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.934524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.934524 (E_RNA)
where:
Base-Base interactions energy: -37.264
where: short stacking energy: -29.802
Base-Backbone interact. energy: 0.302
local terms energy: -46.972434
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: 3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -95.675304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.675304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.675304 (E_RNA)
where:
Base-Base interactions energy: -44.685
where: short stacking energy: -30.595
Base-Backbone interact. energy: -0.566
local terms energy: -50.425106
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -4.541
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: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -79.251860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.251860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.251860 (E_RNA)
where:
Base-Base interactions energy: -30.594
where: short stacking energy: -27.419
Base-Backbone interact. energy: 0.047
local terms energy: -48.705485
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -6.740
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: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -241.280146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.280146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.280146 (E_RNA)
where:
Base-Base interactions energy: -160.151
where: short stacking energy: -67.200
Base-Backbone interact. energy: -0.785
local terms energy: -80.344023
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -20.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -227.510447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.510447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.510447 (E_RNA)
where:
Base-Base interactions energy: -147.356
where: short stacking energy: -75.933
Base-Backbone interact. energy: -1.086
local terms energy: -79.068088
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -204.719578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.719578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.719578 (E_RNA)
where:
Base-Base interactions energy: -136.217
where: short stacking energy: -63.312
Base-Backbone interact. energy: 0.913
local terms energy: -69.415733
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -203.653713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.653713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.653713 (E_RNA)
where:
Base-Base interactions energy: -121.571
where: short stacking energy: -62.183
Base-Backbone interact. energy: -0.110
local terms energy: -81.972794
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -9.256
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: 5, replica: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -181.734076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.734076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.734076 (E_RNA)
where:
Base-Base interactions energy: -112.403
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.155
local terms energy: -69.175757
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -15.140
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: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -182.620487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.620487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.620487 (E_RNA)
where:
Base-Base interactions energy: -117.715
where: short stacking energy: -55.960
Base-Backbone interact. energy: -0.313
local terms energy: -64.592210
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -6.291
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: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -117.500973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.500973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.500973 (E_RNA)
where:
Base-Base interactions energy: -58.094
where: short stacking energy: -42.211
Base-Backbone interact. energy: -0.350
local terms energy: -59.057330
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -88.071771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.071771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.071771 (E_RNA)
where:
Base-Base interactions energy: -34.433
where: short stacking energy: -34.433
Base-Backbone interact. energy: -0.064
local terms energy: -53.575271
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -1.882
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: 9, replica: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -83.661337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.661337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.661337 (E_RNA)
where:
Base-Base interactions energy: -28.681
where: short stacking energy: -23.550
Base-Backbone interact. energy: -0.271
local terms energy: -54.708875
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -8.862
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -8.399
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: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -84.591208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.591208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.591208 (E_RNA)
where:
Base-Base interactions energy: -37.101
where: short stacking energy: -26.012
Base-Backbone interact. energy: -0.847
local terms energy: -46.643066
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -6.635
flat angles P-C4'-P energy: -11.548
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: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -243.547667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.547667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.547667 (E_RNA)
where:
Base-Base interactions energy: -167.530
where: short stacking energy: -70.071
Base-Backbone interact. energy: -1.294
local terms energy: -74.723442
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -14.307
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: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -220.990671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.990671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.990671 (E_RNA)
where:
Base-Base interactions energy: -140.205
where: short stacking energy: -76.381
Base-Backbone interact. energy: -0.001
local terms energy: -80.785212
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -208.446148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.446148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.446148 (E_RNA)
where:
Base-Base interactions energy: -137.525
where: short stacking energy: -69.612
Base-Backbone interact. energy: -0.019
local terms energy: -70.902960
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -19.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -219.217641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.217641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.217641 (E_RNA)
where:
Base-Base interactions energy: -144.588
where: short stacking energy: -79.363
Base-Backbone interact. energy: -0.006
local terms energy: -74.622717
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -21.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -184.965640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.965640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.965640 (E_RNA)
where:
Base-Base interactions energy: -117.821
where: short stacking energy: -59.470
Base-Backbone interact. energy: -0.090
local terms energy: -67.055065
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -185.995410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.995410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.995410 (E_RNA)
where:
Base-Base interactions energy: -113.173
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.084
local terms energy: -72.738977
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -17.605
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: 7, replica: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -109.777678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.777678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.777678 (E_RNA)
where:
Base-Base interactions energy: -46.996
where: short stacking energy: -45.469
Base-Backbone interact. energy: 0.306
local terms energy: -63.087331
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -91.842631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.842631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.842631 (E_RNA)
where:
Base-Base interactions energy: -44.500
where: short stacking energy: -33.472
Base-Backbone interact. energy: -0.354
local terms energy: -46.988520
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -5.998
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -85.501752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.501752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.501752 (E_RNA)
where:
Base-Base interactions energy: -27.516
where: short stacking energy: -14.947
Base-Backbone interact. energy: -0.474
local terms energy: -57.511480
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: 1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -83.793250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.793250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.793250 (E_RNA)
where:
Base-Base interactions energy: -34.888
where: short stacking energy: -34.888
Base-Backbone interact. energy: -0.123
local terms energy: -48.782378
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -8.094
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -245.343942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.343942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.343942 (E_RNA)
where:
Base-Base interactions energy: -166.349
where: short stacking energy: -66.162
Base-Backbone interact. energy: -0.234
local terms energy: -78.760473
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -17.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -227.553724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.553724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.553724 (E_RNA)
where:
Base-Base interactions energy: -147.684
where: short stacking energy: -77.153
Base-Backbone interact. energy: -0.013
local terms energy: -79.857139
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -20.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -208.009327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.009327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.009327 (E_RNA)
where:
Base-Base interactions energy: -145.433
where: short stacking energy: -74.304
Base-Backbone interact. energy: -0.252
local terms energy: -62.324413
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -15.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -194.781350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.781350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.781350 (E_RNA)
where:
Base-Base interactions energy: -120.500
where: short stacking energy: -55.655
Base-Backbone interact. energy: 0.060
local terms energy: -74.341480
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -6.840
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: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -201.741211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.741211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.741211 (E_RNA)
where:
Base-Base interactions energy: -125.885
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.233
local terms energy: -75.622267
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -13.037
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: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -174.144672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.144672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.144672 (E_RNA)
where:
Base-Base interactions energy: -112.880
where: short stacking energy: -59.637
Base-Backbone interact. energy: -0.184
local terms energy: -61.080151
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -13.574
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: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -102.808454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.808454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.808454 (E_RNA)
where:
Base-Base interactions energy: -61.843
where: short stacking energy: -36.597
Base-Backbone interact. energy: 0.449
local terms energy: -41.414896
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -6.769
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: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -90.179276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.179276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.179276 (E_RNA)
where:
Base-Base interactions energy: -33.129
where: short stacking energy: -34.123
Base-Backbone interact. energy: 0.036
local terms energy: -57.086490
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: 0.169
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: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -83.420212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.420212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.420212 (E_RNA)
where:
Base-Base interactions energy: -31.269
where: short stacking energy: -31.269
Base-Backbone interact. energy: -0.346
local terms energy: -51.805342
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -3.729
tors. eta vs tors. theta energy: -6.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -80.766703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.766703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.766703 (E_RNA)
where:
Base-Base interactions energy: -28.120
where: short stacking energy: -28.120
Base-Backbone interact. energy: -0.140
local terms energy: -52.506376
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -12.361
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: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -215.663738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.663738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.663738 (E_RNA)
where:
Base-Base interactions energy: -136.644
where: short stacking energy: -76.923
Base-Backbone interact. energy: -0.419
local terms energy: -78.601219
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -235.703174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.703174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.703174 (E_RNA)
where:
Base-Base interactions energy: -160.498
where: short stacking energy: -65.648
Base-Backbone interact. energy: -0.103
local terms energy: -75.101674
where:
bonds (distance) C4'-P energy: -9.862
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -16.307
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: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -214.971781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.971781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.971781 (E_RNA)
where:
Base-Base interactions energy: -139.154
where: short stacking energy: -69.473
Base-Backbone interact. energy: -0.078
local terms energy: -75.739972
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -18.721
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: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -204.765250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.765250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.765250 (E_RNA)
where:
Base-Base interactions energy: -132.416
where: short stacking energy: -63.854
Base-Backbone interact. energy: 0.189
local terms energy: -72.538202
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -201.812134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.812134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.812134 (E_RNA)
where:
Base-Base interactions energy: -130.864
where: short stacking energy: -55.507
Base-Backbone interact. energy: -0.111
local terms energy: -70.837334
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -14.628
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: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -190.900594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.900594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.900594 (E_RNA)
where:
Base-Base interactions energy: -127.476
where: short stacking energy: -49.638
Base-Backbone interact. energy: -0.101
local terms energy: -63.323545
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -105.759333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.759333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.759333 (E_RNA)
where:
Base-Base interactions energy: -41.646
where: short stacking energy: -35.929
Base-Backbone interact. energy: -1.417
local terms energy: -62.695741
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -89.424413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.424413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.424413 (E_RNA)
where:
Base-Base interactions energy: -34.650
where: short stacking energy: -33.691
Base-Backbone interact. energy: -0.037
local terms energy: -54.737419
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -91.833370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.833370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.833370 (E_RNA)
where:
Base-Base interactions energy: -38.506
where: short stacking energy: -29.117
Base-Backbone interact. energy: -0.100
local terms energy: -53.227178
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -1.112
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: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -86.982004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.982004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.982004 (E_RNA)
where:
Base-Base interactions energy: -29.385
where: short stacking energy: -29.385
Base-Backbone interact. energy: 0.784
local terms energy: -58.380648
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -224.168414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.168414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.168414 (E_RNA)
where:
Base-Base interactions energy: -142.497
where: short stacking energy: -75.099
Base-Backbone interact. energy: -0.500
local terms energy: -81.171484
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -20.135
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: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -230.890474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.890474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.890474 (E_RNA)
where:
Base-Base interactions energy: -161.487
where: short stacking energy: -69.476
Base-Backbone interact. energy: -0.262
local terms energy: -69.141594
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -12.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -206.782747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.782747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.782747 (E_RNA)
where:
Base-Base interactions energy: -143.643
where: short stacking energy: -61.768
Base-Backbone interact. energy: -0.521
local terms energy: -62.618216
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -0.433
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -208.532430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.532430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.532430 (E_RNA)
where:
Base-Base interactions energy: -133.985
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.408
local terms energy: -74.139223
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -16.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -190.706808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.706808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.706808 (E_RNA)
where:
Base-Base interactions energy: -114.545
where: short stacking energy: -58.572
Base-Backbone interact. energy: -0.237
local terms energy: -75.925121
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -10.300
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: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -185.531277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.531277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.531277 (E_RNA)
where:
Base-Base interactions energy: -117.202
where: short stacking energy: -57.949
Base-Backbone interact. energy: -0.147
local terms energy: -68.182883
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -11.538
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: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -100.013232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.013232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.013232 (E_RNA)
where:
Base-Base interactions energy: -55.669
where: short stacking energy: -46.661
Base-Backbone interact. energy: -0.619
local terms energy: -43.726034
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -118.474406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.474406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.474406 (E_RNA)
where:
Base-Base interactions energy: -61.807
where: short stacking energy: -49.111
Base-Backbone interact. energy: -0.080
local terms energy: -56.586717
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -9.944
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: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -95.925889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.925889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.925889 (E_RNA)
where:
Base-Base interactions energy: -49.417
where: short stacking energy: -32.029
Base-Backbone interact. energy: -0.303
local terms energy: -46.205499
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -81.248610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.248610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.248610 (E_RNA)
where:
Base-Base interactions energy: -38.227
where: short stacking energy: -37.037
Base-Backbone interact. energy: -0.207
local terms energy: -42.814446
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -245.510785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.510785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.510785 (E_RNA)
where:
Base-Base interactions energy: -166.425
where: short stacking energy: -65.155
Base-Backbone interact. energy: -0.350
local terms energy: -78.735876
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -225.941042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.941042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.941042 (E_RNA)
where:
Base-Base interactions energy: -148.161
where: short stacking energy: -79.141
Base-Backbone interact. energy: -1.635
local terms energy: -76.145211
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -22.244
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: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -202.789417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.789417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.789417 (E_RNA)
where:
Base-Base interactions energy: -131.622
where: short stacking energy: -55.857
Base-Backbone interact. energy: -0.341
local terms energy: -70.826187
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -199.390556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.390556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.390556 (E_RNA)
where:
Base-Base interactions energy: -127.753
where: short stacking energy: -58.777
Base-Backbone interact. energy: -0.004
local terms energy: -71.633600
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -17.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -194.753737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.753737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.753737 (E_RNA)
where:
Base-Base interactions energy: -121.042
where: short stacking energy: -69.177
Base-Backbone interact. energy: -0.007
local terms energy: -73.704050
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -16.689
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: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -165.949947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.949947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.949947 (E_RNA)
where:
Base-Base interactions energy: -112.171
where: short stacking energy: -42.232
Base-Backbone interact. energy: -0.826
local terms energy: -52.952220
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -8.075
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -121.989724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.989724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.989724 (E_RNA)
where:
Base-Base interactions energy: -58.794
where: short stacking energy: -35.093
Base-Backbone interact. energy: 0.909
local terms energy: -64.104123
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -10.084
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: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -93.800174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.800174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.800174 (E_RNA)
where:
Base-Base interactions energy: -42.094
where: short stacking energy: -42.094
Base-Backbone interact. energy: -0.552
local terms energy: -51.153618
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -84.545302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.545302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.545302 (E_RNA)
where:
Base-Base interactions energy: -27.967
where: short stacking energy: -24.370
Base-Backbone interact. energy: -0.351
local terms energy: -56.227927
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -12.526
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: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -82.865174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.865174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.865174 (E_RNA)
where:
Base-Base interactions energy: -34.041
where: short stacking energy: -29.487
Base-Backbone interact. energy: -0.091
local terms energy: -48.732799
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -238.858244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.858244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.858244 (E_RNA)
where:
Base-Base interactions energy: -158.505
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.047
local terms energy: -80.306863
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -225.791288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.791288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.791288 (E_RNA)
where:
Base-Base interactions energy: -139.967
where: short stacking energy: -67.370
Base-Backbone interact. energy: -0.415
local terms energy: -85.409600
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -24.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -223.623686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.623686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.623686 (E_RNA)
where:
Base-Base interactions energy: -145.817
where: short stacking energy: -79.314
Base-Backbone interact. energy: -0.001
local terms energy: -77.805466
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -10.895
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: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -222.275912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.275912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.275912 (E_RNA)
where:
Base-Base interactions energy: -146.951
where: short stacking energy: -64.156
Base-Backbone interact. energy: -0.606
local terms energy: -74.718700
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -7.710
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: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -190.368169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.368169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.368169 (E_RNA)
where:
Base-Base interactions energy: -122.065
where: short stacking energy: -60.487
Base-Backbone interact. energy: -0.028
local terms energy: -68.275034
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -13.546
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: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -180.677927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.677927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.677927 (E_RNA)
where:
Base-Base interactions energy: -108.446
where: short stacking energy: -58.077
Base-Backbone interact. energy: -0.288
local terms energy: -71.943563
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -13.889
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: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -106.877150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.877150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.877150 (E_RNA)
where:
Base-Base interactions energy: -53.299
where: short stacking energy: -53.299
Base-Backbone interact. energy: -0.002
local terms energy: -53.576052
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -8.845
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -8.508
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: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -107.003526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.003526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.003526 (E_RNA)
where:
Base-Base interactions energy: -52.834
where: short stacking energy: -34.408
Base-Backbone interact. energy: 0.673
local terms energy: -54.842990
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -7.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -104.669282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.669282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.669282 (E_RNA)
where:
Base-Base interactions energy: -56.683
where: short stacking energy: -32.591
Base-Backbone interact. energy: -0.347
local terms energy: -47.639187
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -84.943472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.943472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.943472 (E_RNA)
where:
Base-Base interactions energy: -34.858
where: short stacking energy: -31.003
Base-Backbone interact. energy: -0.213
local terms energy: -49.872684
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -9.505
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -239.981296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.981296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.981296 (E_RNA)
where:
Base-Base interactions energy: -153.672
where: short stacking energy: -65.130
Base-Backbone interact. energy: -0.139
local terms energy: -86.169653
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -14.881
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: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -225.875491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.875491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.875491 (E_RNA)
where:
Base-Base interactions energy: -148.022
where: short stacking energy: -79.773
Base-Backbone interact. energy: -0.003
local terms energy: -77.850505
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -219.040594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.040594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.040594 (E_RNA)
where:
Base-Base interactions energy: -135.880
where: short stacking energy: -70.044
Base-Backbone interact. energy: -0.003
local terms energy: -83.157575
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -22.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -211.022419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.022419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.022419 (E_RNA)
where:
Base-Base interactions energy: -137.873
where: short stacking energy: -69.622
Base-Backbone interact. energy: -0.002
local terms energy: -73.147367
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -182.765722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.765722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.765722 (E_RNA)
where:
Base-Base interactions energy: -110.234
where: short stacking energy: -58.331
Base-Backbone interact. energy: -0.000
local terms energy: -72.531224
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -16.163
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: 6, replica: 2
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -185.488843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.488843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.488843 (E_RNA)
where:
Base-Base interactions energy: -116.053
where: short stacking energy: -57.929
Base-Backbone interact. energy: -0.078
local terms energy: -69.357366
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -103.352693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.352693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.352693 (E_RNA)
where:
Base-Base interactions energy: -45.944
where: short stacking energy: -35.562
Base-Backbone interact. energy: -0.288
local terms energy: -57.120908
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -80.201433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.201433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.201433 (E_RNA)
where:
Base-Base interactions energy: -38.717
where: short stacking energy: -32.789
Base-Backbone interact. energy: -0.083
local terms energy: -41.401315
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: 0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -88.364017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.364017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.364017 (E_RNA)
where:
Base-Base interactions energy: -34.452
where: short stacking energy: -31.698
Base-Backbone interact. energy: -0.090
local terms energy: -53.822375
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -85.818945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.818945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.818945 (E_RNA)
where:
Base-Base interactions energy: -38.535
where: short stacking energy: -35.673
Base-Backbone interact. energy: -0.207
local terms energy: -47.077607
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -2.556
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -243.699558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.699558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.699558 (E_RNA)
where:
Base-Base interactions energy: -162.836
where: short stacking energy: -67.965
Base-Backbone interact. energy: -0.152
local terms energy: -80.711703
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -214.650835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.650835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.650835 (E_RNA)
where:
Base-Base interactions energy: -143.611
where: short stacking energy: -76.640
Base-Backbone interact. energy: -0.568
local terms energy: -70.471179
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -6.761
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: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -222.043738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.043738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.043738 (E_RNA)
where:
Base-Base interactions energy: -142.678
where: short stacking energy: -73.167
Base-Backbone interact. energy: -0.001
local terms energy: -79.365018
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -179.929889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.929889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.929889 (E_RNA)
where:
Base-Base interactions energy: -118.380
where: short stacking energy: -58.068
Base-Backbone interact. energy: -0.108
local terms energy: -61.441507
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -200.392560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.392560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.392560 (E_RNA)
where:
Base-Base interactions energy: -127.260
where: short stacking energy: -68.031
Base-Backbone interact. energy: -0.029
local terms energy: -73.103028
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -11.202
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: 6, replica: 2
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -175.985888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.985888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.985888 (E_RNA)
where:
Base-Base interactions energy: -110.963
where: short stacking energy: -50.881
Base-Backbone interact. energy: -0.122
local terms energy: -64.901088
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -12.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -96.047104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.047104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.047104 (E_RNA)
where:
Base-Base interactions energy: -40.913
where: short stacking energy: -22.384
Base-Backbone interact. energy: -0.494
local terms energy: -54.640356
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -88.789662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.789662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.789662 (E_RNA)
where:
Base-Base interactions energy: -36.657
where: short stacking energy: -36.627
Base-Backbone interact. energy: -0.420
local terms energy: -51.712160
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -9.112
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: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -82.917781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.917781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.917781 (E_RNA)
where:
Base-Base interactions energy: -41.111
where: short stacking energy: -27.561
Base-Backbone interact. energy: 2.575
local terms energy: -44.381529
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -82.548331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.548331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.548331 (E_RNA)
where:
Base-Base interactions energy: -24.996
where: short stacking energy: -24.996
Base-Backbone interact. energy: 0.410
local terms energy: -57.962392
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -210.255224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.255224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.255224 (E_RNA)
where:
Base-Base interactions energy: -138.978
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.262
local terms energy: -71.015103
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -9.719
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: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -241.271043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.271043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.271043 (E_RNA)
where:
Base-Base interactions energy: -163.107
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.156
local terms energy: -78.007477
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -22.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -202.081548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.081548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.081548 (E_RNA)
where:
Base-Base interactions energy: -135.300
where: short stacking energy: -59.026
Base-Backbone interact. energy: -0.065
local terms energy: -66.716491
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -18.727
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: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -197.794988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.794988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.794988 (E_RNA)
where:
Base-Base interactions energy: -123.182
where: short stacking energy: -70.707
Base-Backbone interact. energy: -0.967
local terms energy: -73.645823
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -185.972503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.972503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.972503 (E_RNA)
where:
Base-Base interactions energy: -125.249
where: short stacking energy: -59.174
Base-Backbone interact. energy: -0.856
local terms energy: -59.867397
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -16.133
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: 2
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -173.194606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.194606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.194606 (E_RNA)
where:
Base-Base interactions energy: -104.160
where: short stacking energy: -55.575
Base-Backbone interact. energy: 0.518
local terms energy: -69.552627
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -12.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -106.481635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.481635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.481635 (E_RNA)
where:
Base-Base interactions energy: -50.580
where: short stacking energy: -38.959
Base-Backbone interact. energy: -0.134
local terms energy: -55.767306
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -105.861946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.861946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.861946 (E_RNA)
where:
Base-Base interactions energy: -45.658
where: short stacking energy: -45.658
Base-Backbone interact. energy: 0.361
local terms energy: -60.564608
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -92.039434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.039434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.039434 (E_RNA)
where:
Base-Base interactions energy: -40.267
where: short stacking energy: -35.788
Base-Backbone interact. energy: -0.456
local terms energy: -51.315657
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -101.067722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.067722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.067722 (E_RNA)
where:
Base-Base interactions energy: -48.602
where: short stacking energy: -37.810
Base-Backbone interact. energy: -0.710
local terms energy: -51.755917
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -6.204
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -6.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -223.845891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.845891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.845891 (E_RNA)
where:
Base-Base interactions energy: -143.713
where: short stacking energy: -63.003
Base-Backbone interact. energy: 0.561
local terms energy: -80.694191
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -209.437207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.437207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.437207 (E_RNA)
where:
Base-Base interactions energy: -141.128
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.041
local terms energy: -68.267687
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -10.879
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: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -228.537959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.537959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.537959 (E_RNA)
where:
Base-Base interactions energy: -154.069
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.913
local terms energy: -73.555596
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -11.300
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: 4, replica: 7
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -197.344536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.344536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.344536 (E_RNA)
where:
Base-Base interactions energy: -124.144
where: short stacking energy: -57.464
Base-Backbone interact. energy: -0.051
local terms energy: -73.149706
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -208.047487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.047487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.047487 (E_RNA)
where:
Base-Base interactions energy: -135.574
where: short stacking energy: -68.651
Base-Backbone interact. energy: -0.075
local terms energy: -72.398366
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -10.679
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: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -169.525652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.525652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.525652 (E_RNA)
where:
Base-Base interactions energy: -105.007
where: short stacking energy: -54.165
Base-Backbone interact. energy: -0.065
local terms energy: -64.453798
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -13.777
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: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -110.667581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.667581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.667581 (E_RNA)
where:
Base-Base interactions energy: -48.138
where: short stacking energy: -35.500
Base-Backbone interact. energy: -0.140
local terms energy: -62.389246
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -12.257
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: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -93.934946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.934946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.934946 (E_RNA)
where:
Base-Base interactions energy: -49.635
where: short stacking energy: -41.841
Base-Backbone interact. energy: -0.186
local terms energy: -44.114220
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -8.385
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -8.447
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: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -91.753667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.753667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.753667 (E_RNA)
where:
Base-Base interactions energy: -37.276
where: short stacking energy: -36.767
Base-Backbone interact. energy: -0.213
local terms energy: -54.264720
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -5.693
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: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -88.182112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.182112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.182112 (E_RNA)
where:
Base-Base interactions energy: -37.652
where: short stacking energy: -27.224
Base-Backbone interact. energy: -0.088
local terms energy: -50.441748
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -9.507
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: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -225.675908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.675908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.675908 (E_RNA)
where:
Base-Base interactions energy: -144.369
where: short stacking energy: -70.769
Base-Backbone interact. energy: -0.490
local terms energy: -80.816767
where:
bonds (distance) C4'-P energy: -9.555
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -24.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -232.908023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.908023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.908023 (E_RNA)
where:
Base-Base interactions energy: -152.614
where: short stacking energy: -74.589
Base-Backbone interact. energy: -0.432
local terms energy: -79.862251
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -25.733
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: 444
Temperature: 1.000000
Total energy: -215.706133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.706133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.706133 (E_RNA)
where:
Base-Base interactions energy: -140.477
where: short stacking energy: -56.467
Base-Backbone interact. energy: -0.452
local terms energy: -74.776630
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -197.904226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.904226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.904226 (E_RNA)
where:
Base-Base interactions energy: -132.602
where: short stacking energy: -55.098
Base-Backbone interact. energy: -1.462
local terms energy: -63.839640
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -7.559
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: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -180.344897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.344897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.344897 (E_RNA)
where:
Base-Base interactions energy: -123.003
where: short stacking energy: -60.555
Base-Backbone interact. energy: -0.832
local terms energy: -56.509412
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -178.464014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.464014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.464014 (E_RNA)
where:
Base-Base interactions energy: -118.984
where: short stacking energy: -52.353
Base-Backbone interact. energy: -0.084
local terms energy: -59.396111
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -9.205
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: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -158.312510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.312510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.312510 (E_RNA)
where:
Base-Base interactions energy: -100.271
where: short stacking energy: -38.141
Base-Backbone interact. energy: -0.599
local terms energy: -57.442482
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -85.955873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.955873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.955873 (E_RNA)
where:
Base-Base interactions energy: -34.059
where: short stacking energy: -34.059
Base-Backbone interact. energy: -0.037
local terms energy: -51.859834
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -8.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -105.139616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.139616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.139616 (E_RNA)
where:
Base-Base interactions energy: -45.150
where: short stacking energy: -43.696
Base-Backbone interact. energy: -0.104
local terms energy: -59.884756
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -9.977
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: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -85.096684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.096684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.096684 (E_RNA)
where:
Base-Base interactions energy: -32.770
where: short stacking energy: -32.770
Base-Backbone interact. energy: -0.029
local terms energy: -52.297749
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -5.649
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: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -226.097743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.097743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.097743 (E_RNA)
where:
Base-Base interactions energy: -151.317
where: short stacking energy: -69.065
Base-Backbone interact. energy: -0.103
local terms energy: -74.677305
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -18.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -210.872808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.872808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.872808 (E_RNA)
where:
Base-Base interactions energy: -141.021
where: short stacking energy: -66.936
Base-Backbone interact. energy: -0.639
local terms energy: -69.213107
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -188.832417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.832417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.832417 (E_RNA)
where:
Base-Base interactions energy: -125.119
where: short stacking energy: -49.936
Base-Backbone interact. energy: 1.016
local terms energy: -64.729959
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -10.704
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: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -181.969243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.969243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.969243 (E_RNA)
where:
Base-Base interactions energy: -113.704
where: short stacking energy: -59.797
Base-Backbone interact. energy: -0.101
local terms energy: -68.164486
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -180.723584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.723584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.723584 (E_RNA)
where:
Base-Base interactions energy: -114.097
where: short stacking energy: -54.103
Base-Backbone interact. energy: -0.225
local terms energy: -66.401139
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -12.451
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: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -169.330946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.330946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.330946 (E_RNA)
where:
Base-Base interactions energy: -98.139
where: short stacking energy: -51.964
Base-Backbone interact. energy: -1.141
local terms energy: -70.050859
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -172.713170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.713170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.713170 (E_RNA)
where:
Base-Base interactions energy: -106.536
where: short stacking energy: -55.613
Base-Backbone interact. energy: -0.104
local terms energy: -66.073346
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -7.673
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: 8, replica: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -94.146949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.146949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.146949 (E_RNA)
where:
Base-Base interactions energy: -39.120
where: short stacking energy: -33.983
Base-Backbone interact. energy: -0.108
local terms energy: -54.919545
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -82.874383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.874383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.874383 (E_RNA)
where:
Base-Base interactions energy: -30.955
where: short stacking energy: -27.096
Base-Backbone interact. energy: -0.059
local terms energy: -51.860346
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -79.512410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.512410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.512410 (E_RNA)
where:
Base-Base interactions energy: -35.077
where: short stacking energy: -31.321
Base-Backbone interact. energy: 0.122
local terms energy: -44.556653
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: 2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -226.879818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.879818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.879818 (E_RNA)
where:
Base-Base interactions energy: -150.101
where: short stacking energy: -75.301
Base-Backbone interact. energy: -0.011
local terms energy: -76.767535
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -204.300090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.300090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.300090 (E_RNA)
where:
Base-Base interactions energy: -128.714
where: short stacking energy: -75.750
Base-Backbone interact. energy: -1.107
local terms energy: -74.479746
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -183.544119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.544119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.544119 (E_RNA)
where:
Base-Base interactions energy: -123.423
where: short stacking energy: -48.952
Base-Backbone interact. energy: -0.496
local terms energy: -59.625679
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -10.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -194.070830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.070830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.070830 (E_RNA)
where:
Base-Base interactions energy: -127.526
where: short stacking energy: -60.183
Base-Backbone interact. energy: -0.944
local terms energy: -65.601391
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -9.745
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: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -159.194008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.194008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.194008 (E_RNA)
where:
Base-Base interactions energy: -89.100
where: short stacking energy: -45.564
Base-Backbone interact. energy: -0.266
local terms energy: -69.828246
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -177.105310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.105310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.105310 (E_RNA)
where:
Base-Base interactions energy: -108.546
where: short stacking energy: -49.728
Base-Backbone interact. energy: 1.029
local terms energy: -69.588532
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -9.727
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: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -160.521855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.521855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.521855 (E_RNA)
where:
Base-Base interactions energy: -95.241
where: short stacking energy: -57.279
Base-Backbone interact. energy: -0.006
local terms energy: -65.275595
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -11.943
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: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -89.939342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.939342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.939342 (E_RNA)
where:
Base-Base interactions energy: -46.860
where: short stacking energy: -46.347
Base-Backbone interact. energy: 1.896
local terms energy: -44.975318
where:
bonds (distance) C4'-P energy: -4.932
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -90.002152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.002152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.002152 (E_RNA)
where:
Base-Base interactions energy: -35.374
where: short stacking energy: -30.702
Base-Backbone interact. energy: -0.490
local terms energy: -54.138096
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -117.589278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.589278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.589278 (E_RNA)
where:
Base-Base interactions energy: -70.187
where: short stacking energy: -40.371
Base-Backbone interact. energy: -0.177
local terms energy: -47.225836
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -3.128
tors. eta vs tors. theta energy: -5.252
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: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -235.850310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.850310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.850310 (E_RNA)
where:
Base-Base interactions energy: -157.585
where: short stacking energy: -75.034
Base-Backbone interact. energy: -0.004
local terms energy: -78.260617
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -19.495
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: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -204.187956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.187956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.187956 (E_RNA)
where:
Base-Base interactions energy: -127.093
where: short stacking energy: -66.726
Base-Backbone interact. energy: -0.073
local terms energy: -77.022028
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -187.820019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.820019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.820019 (E_RNA)
where:
Base-Base interactions energy: -121.614
where: short stacking energy: -42.979
Base-Backbone interact. energy: -0.394
local terms energy: -65.812108
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -7.235
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: 447
Temperature: 1.050000
Total energy: -196.215607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.215607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.215607 (E_RNA)
where:
Base-Base interactions energy: -133.030
where: short stacking energy: -67.325
Base-Backbone interact. energy: -0.034
local terms energy: -63.152351
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -13.178
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: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -161.044197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.044197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.044197 (E_RNA)
where:
Base-Base interactions energy: -98.994
where: short stacking energy: -49.962
Base-Backbone interact. energy: -0.259
local terms energy: -61.791237
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -10.099
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -11.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -178.863101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.863101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.863101 (E_RNA)
where:
Base-Base interactions energy: -106.277
where: short stacking energy: -51.124
Base-Backbone interact. energy: -0.032
local terms energy: -72.554258
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -14.399
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: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -155.151853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.151853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.151853 (E_RNA)
where:
Base-Base interactions energy: -97.109
where: short stacking energy: -30.725
Base-Backbone interact. energy: -0.621
local terms energy: -57.421747
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -92.955046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.955046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.955046 (E_RNA)
where:
Base-Base interactions energy: -42.888
where: short stacking energy: -24.926
Base-Backbone interact. energy: -0.975
local terms energy: -49.091216
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: 0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -80.461087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.461087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.461087 (E_RNA)
where:
Base-Base interactions energy: -35.799
where: short stacking energy: -24.656
Base-Backbone interact. energy: -0.261
local terms energy: -44.400524
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: 0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -111.501322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.501322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.501322 (E_RNA)
where:
Base-Base interactions energy: -57.963
where: short stacking energy: -27.766
Base-Backbone interact. energy: -0.285
local terms energy: -53.252949
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -224.017586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.017586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.017586 (E_RNA)
where:
Base-Base interactions energy: -139.115
where: short stacking energy: -73.526
Base-Backbone interact. energy: -1.245
local terms energy: -83.657701
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -234.615569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.615569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.615569 (E_RNA)
where:
Base-Base interactions energy: -152.543
where: short stacking energy: -78.199
Base-Backbone interact. energy: -0.509
local terms energy: -81.563499
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -19.289
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: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -186.745008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.745008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.745008 (E_RNA)
where:
Base-Base interactions energy: -116.411
where: short stacking energy: -56.924
Base-Backbone interact. energy: -0.774
local terms energy: -69.560633
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -209.131262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.131262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.131262 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -70.257
Base-Backbone interact. energy: -0.149
local terms energy: -79.416307
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -22.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -161.536055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.536055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.536055 (E_RNA)
where:
Base-Base interactions energy: -101.613
where: short stacking energy: -41.650
Base-Backbone interact. energy: -1.142
local terms energy: -58.781291
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -8.525
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: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -179.563075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.563075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.563075 (E_RNA)
where:
Base-Base interactions energy: -117.901
where: short stacking energy: -55.434
Base-Backbone interact. energy: -0.369
local terms energy: -61.292749
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -7.402
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -101.683487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.683487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.683487 (E_RNA)
where:
Base-Base interactions energy: -50.802
where: short stacking energy: -50.802
Base-Backbone interact. energy: 0.269
local terms energy: -51.149820
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -147.751518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.751518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.751518 (E_RNA)
where:
Base-Base interactions energy: -101.743
where: short stacking energy: -42.506
Base-Backbone interact. energy: -0.337
local terms energy: -45.671558
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -8.097
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -88.559445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.559445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.559445 (E_RNA)
where:
Base-Base interactions energy: -39.478
where: short stacking energy: -22.558
Base-Backbone interact. energy: -0.105
local terms energy: -48.976146
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: 0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -80.285131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.285131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.285131 (E_RNA)
where:
Base-Base interactions energy: -22.541
where: short stacking energy: -20.355
Base-Backbone interact. energy: 0.099
local terms energy: -57.843063
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -12.602
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: 449
Temperature: 0.900000
Total energy: -212.291676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.291676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.291676 (E_RNA)
where:
Base-Base interactions energy: -137.394
where: short stacking energy: -69.029
Base-Backbone interact. energy: -0.327
local terms energy: -74.571337
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -16.445
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: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -221.196388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.196388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.196388 (E_RNA)
where:
Base-Base interactions energy: -144.987
where: short stacking energy: -68.184
Base-Backbone interact. energy: -0.286
local terms energy: -75.923091
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -18.265
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: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -175.971740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.971740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.971740 (E_RNA)
where:
Base-Base interactions energy: -109.365
where: short stacking energy: -51.260
Base-Backbone interact. energy: -0.717
local terms energy: -65.889763
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -184.936353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.936353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.936353 (E_RNA)
where:
Base-Base interactions energy: -116.426
where: short stacking energy: -51.683
Base-Backbone interact. energy: 1.168
local terms energy: -69.678270
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -14.373
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: 5, replica: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -175.614261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.614261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.614261 (E_RNA)
where:
Base-Base interactions energy: -113.317
where: short stacking energy: -50.527
Base-Backbone interact. energy: -0.662
local terms energy: -61.634907
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -181.256578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.256578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.256578 (E_RNA)
where:
Base-Base interactions energy: -119.038
where: short stacking energy: -57.101
Base-Backbone interact. energy: 0.301
local terms energy: -62.519877
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -96.935123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.935123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.935123 (E_RNA)
where:
Base-Base interactions energy: -46.101
where: short stacking energy: -42.003
Base-Backbone interact. energy: -0.198
local terms energy: -50.635955
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -175.406346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.406346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.406346 (E_RNA)
where:
Base-Base interactions energy: -115.288
where: short stacking energy: -57.230
Base-Backbone interact. energy: 3.885
local terms energy: -64.003829
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -102.458566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.458566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.458566 (E_RNA)
where:
Base-Base interactions energy: -40.171
where: short stacking energy: -38.832
Base-Backbone interact. energy: -0.723
local terms energy: -61.564695
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -12.797
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: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -89.428160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.428160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.428160 (E_RNA)
where:
Base-Base interactions energy: -38.802
where: short stacking energy: -37.479
Base-Backbone interact. energy: -0.107
local terms energy: -50.518957
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -3.728
tors. eta vs tors. theta energy: -1.272
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: 450
Temperature: 0.900000
Total energy: -222.484139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.484139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.484139 (E_RNA)
where:
Base-Base interactions energy: -142.373
where: short stacking energy: -68.522
Base-Backbone interact. energy: -0.164
local terms energy: -79.947597
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -211.493052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.493052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.493052 (E_RNA)
where:
Base-Base interactions energy: -144.937
where: short stacking energy: -62.781
Base-Backbone interact. energy: 0.393
local terms energy: -66.948589
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -17.066
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: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -217.040971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.040971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.040971 (E_RNA)
where:
Base-Base interactions energy: -138.890
where: short stacking energy: -73.785
Base-Backbone interact. energy: -0.038
local terms energy: -78.112832
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -189.604620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.604620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.604620 (E_RNA)
where:
Base-Base interactions energy: -111.847
where: short stacking energy: -54.441
Base-Backbone interact. energy: -0.767
local terms energy: -76.990589
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -193.318169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.318169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.318169 (E_RNA)
where:
Base-Base interactions energy: -124.413
where: short stacking energy: -57.362
Base-Backbone interact. energy: -0.002
local terms energy: -68.903195
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -156.778754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.778754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.778754 (E_RNA)
where:
Base-Base interactions energy: -99.782
where: short stacking energy: -42.226
Base-Backbone interact. energy: -0.221
local terms energy: -56.776150
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -6.725
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -184.688594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.688594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.688594 (E_RNA)
where:
Base-Base interactions energy: -122.410
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.230
local terms energy: -62.048969
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -15.161
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: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -90.729906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.729906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.729906 (E_RNA)
where:
Base-Base interactions energy: -42.525
where: short stacking energy: -31.016
Base-Backbone interact. energy: -0.274
local terms energy: -47.931390
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: 0.675
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: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -84.033650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.033650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.033650 (E_RNA)
where:
Base-Base interactions energy: -33.619
where: short stacking energy: -33.619
Base-Backbone interact. energy: 0.084
local terms energy: -50.498842
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -7.350
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: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -79.219537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.219537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.219537 (E_RNA)
where:
Base-Base interactions energy: -21.931
where: short stacking energy: -21.931
Base-Backbone interact. energy: -0.532
local terms energy: -56.757107
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -8.157
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: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -230.031549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.031549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.031549 (E_RNA)
where:
Base-Base interactions energy: -152.191
where: short stacking energy: -75.177
Base-Backbone interact. energy: -0.693
local terms energy: -77.147384
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -217.924639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.924639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.924639 (E_RNA)
where:
Base-Base interactions energy: -141.540
where: short stacking energy: -66.358
Base-Backbone interact. energy: -0.851
local terms energy: -75.534085
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -21.310
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: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -209.361145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.361145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.361145 (E_RNA)
where:
Base-Base interactions energy: -138.268
where: short stacking energy: -60.959
Base-Backbone interact. energy: -0.325
local terms energy: -70.767799
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -212.633489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.633489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.633489 (E_RNA)
where:
Base-Base interactions energy: -131.639
where: short stacking energy: -68.640
Base-Backbone interact. energy: -0.001
local terms energy: -80.993620
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -193.269964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.269964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.269964 (E_RNA)
where:
Base-Base interactions energy: -117.354
where: short stacking energy: -59.551
Base-Backbone interact. energy: -1.650
local terms energy: -74.265667
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -11.938
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: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -198.918782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.918782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.918782 (E_RNA)
where:
Base-Base interactions energy: -134.652
where: short stacking energy: -65.114
Base-Backbone interact. energy: -0.688
local terms energy: -63.578916
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -8.232
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -164.103688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.103688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.103688 (E_RNA)
where:
Base-Base interactions energy: -104.271
where: short stacking energy: -46.263
Base-Backbone interact. energy: -0.008
local terms energy: -59.824506
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -8.409
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -94.446844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.446844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.446844 (E_RNA)
where:
Base-Base interactions energy: -40.680
where: short stacking energy: -32.125
Base-Backbone interact. energy: -1.608
local terms energy: -52.158909
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -9.470
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: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -89.797135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.797135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.797135 (E_RNA)
where:
Base-Base interactions energy: -40.311
where: short stacking energy: -40.275
Base-Backbone interact. energy: -0.022
local terms energy: -49.464066
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -84.586308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.586308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.586308 (E_RNA)
where:
Base-Base interactions energy: -36.913
where: short stacking energy: -36.913
Base-Backbone interact. energy: -0.304
local terms energy: -47.368647
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -224.924428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.924428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.924428 (E_RNA)
where:
Base-Base interactions energy: -146.922
where: short stacking energy: -68.793
Base-Backbone interact. energy: -0.546
local terms energy: -77.456760
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -213.634101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.634101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.634101 (E_RNA)
where:
Base-Base interactions energy: -140.883
where: short stacking energy: -62.298
Base-Backbone interact. energy: -0.111
local terms energy: -72.640715
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -215.428967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.428967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.428967 (E_RNA)
where:
Base-Base interactions energy: -139.446
where: short stacking energy: -68.619
Base-Backbone interact. energy: -0.000
local terms energy: -75.982667
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -18.451
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: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -200.959456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.959456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.959456 (E_RNA)
where:
Base-Base interactions energy: -134.783
where: short stacking energy: -51.230
Base-Backbone interact. energy: 0.417
local terms energy: -66.592899
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -174.526771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.526771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.526771 (E_RNA)
where:
Base-Base interactions energy: -115.846
where: short stacking energy: -48.605
Base-Backbone interact. energy: -1.488
local terms energy: -57.193118
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -5.797
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: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -186.107269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.107269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.107269 (E_RNA)
where:
Base-Base interactions energy: -122.380
where: short stacking energy: -51.100
Base-Backbone interact. energy: -0.318
local terms energy: -63.409751
where:
bonds (distance) C4'-P energy: -8.673
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -14.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -168.594552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.594552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.594552 (E_RNA)
where:
Base-Base interactions energy: -104.789
where: short stacking energy: -43.891
Base-Backbone interact. energy: -1.074
local terms energy: -62.732062
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -113.672558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.672558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.672558 (E_RNA)
where:
Base-Base interactions energy: -62.376
where: short stacking energy: -34.339
Base-Backbone interact. energy: -0.108
local terms energy: -51.189087
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -81.881833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.881833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.881833 (E_RNA)
where:
Base-Base interactions energy: -28.999
where: short stacking energy: -28.999
Base-Backbone interact. energy: -0.054
local terms energy: -52.829071
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -78.524490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.524490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.524490 (E_RNA)
where:
Base-Base interactions energy: -40.363
where: short stacking energy: -38.729
Base-Backbone interact. energy: 0.001
local terms energy: -38.162783
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -6.211
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -0.535
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: 453
Temperature: 0.900000
Total energy: -229.881794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.881794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.881794 (E_RNA)
where:
Base-Base interactions energy: -145.935
where: short stacking energy: -67.345
Base-Backbone interact. energy: -0.078
local terms energy: -83.868691
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -221.910181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.910181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.910181 (E_RNA)
where:
Base-Base interactions energy: -144.129
where: short stacking energy: -75.383
Base-Backbone interact. energy: -0.685
local terms energy: -77.096211
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -13.916
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: 3, replica: 5
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -192.874114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.874114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.874114 (E_RNA)
where:
Base-Base interactions energy: -116.244
where: short stacking energy: -51.221
Base-Backbone interact. energy: -0.769
local terms energy: -75.860798
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -10.379
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: 4, replica: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -196.695826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.695826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.695826 (E_RNA)
where:
Base-Base interactions energy: -137.085
where: short stacking energy: -58.009
Base-Backbone interact. energy: 1.643
local terms energy: -61.252952
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -182.570389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.570389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.570389 (E_RNA)
where:
Base-Base interactions energy: -123.293
where: short stacking energy: -53.556
Base-Backbone interact. energy: -0.127
local terms energy: -59.150798
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -188.592132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.592132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.592132 (E_RNA)
where:
Base-Base interactions energy: -115.879
where: short stacking energy: -62.060
Base-Backbone interact. energy: 0.611
local terms energy: -73.324213
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -171.865438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.865438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.865438 (E_RNA)
where:
Base-Base interactions energy: -108.897
where: short stacking energy: -44.564
Base-Backbone interact. energy: -0.069
local terms energy: -62.898937
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -95.448228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.448228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.448228 (E_RNA)
where:
Base-Base interactions energy: -40.745
where: short stacking energy: -40.267
Base-Backbone interact. energy: -0.111
local terms energy: -54.592450
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -86.884834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.884834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.884834 (E_RNA)
where:
Base-Base interactions energy: -40.745
where: short stacking energy: -34.779
Base-Backbone interact. energy: 0.209
local terms energy: -46.348593
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -5.754
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: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -84.075760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.075760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.075760 (E_RNA)
where:
Base-Base interactions energy: -34.376
where: short stacking energy: -34.376
Base-Backbone interact. energy: -0.185
local terms energy: -49.514923
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -218.706130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.706130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.706130 (E_RNA)
where:
Base-Base interactions energy: -156.741
where: short stacking energy: -67.957
Base-Backbone interact. energy: 0.632
local terms energy: -62.596608
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -20.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -216.693589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.693589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.693589 (E_RNA)
where:
Base-Base interactions energy: -143.052
where: short stacking energy: -68.150
Base-Backbone interact. energy: -0.335
local terms energy: -73.305953
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -210.546682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.546682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.546682 (E_RNA)
where:
Base-Base interactions energy: -129.445
where: short stacking energy: -65.495
Base-Backbone interact. energy: -0.001
local terms energy: -81.100855
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -16.700
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: 454
Temperature: 1.050000
Total energy: -187.333936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.333936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.333936 (E_RNA)
where:
Base-Base interactions energy: -127.668
where: short stacking energy: -55.936
Base-Backbone interact. energy: -0.666
local terms energy: -58.999473
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -10.262
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: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -211.264534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.264534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.264534 (E_RNA)
where:
Base-Base interactions energy: -134.797
where: short stacking energy: -72.905
Base-Backbone interact. energy: -1.037
local terms energy: -75.430086
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -24.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -178.404904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.404904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.404904 (E_RNA)
where:
Base-Base interactions energy: -123.025
where: short stacking energy: -45.948
Base-Backbone interact. energy: -0.462
local terms energy: -54.917980
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -160.778685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.778685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.778685 (E_RNA)
where:
Base-Base interactions energy: -90.517
where: short stacking energy: -41.884
Base-Backbone interact. energy: -0.215
local terms energy: -70.046613
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -89.168994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.168994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.168994 (E_RNA)
where:
Base-Base interactions energy: -43.229
where: short stacking energy: -35.518
Base-Backbone interact. energy: -0.587
local terms energy: -45.353892
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -88.194427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.194427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.194427 (E_RNA)
where:
Base-Base interactions energy: -39.939
where: short stacking energy: -32.223
Base-Backbone interact. energy: -0.398
local terms energy: -47.857490
where:
bonds (distance) C4'-P energy: -7.927
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -8.831
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: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -88.497543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.497543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.497543 (E_RNA)
where:
Base-Base interactions energy: -40.977
where: short stacking energy: -33.692
Base-Backbone interact. energy: -0.344
local terms energy: -47.175913
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -8.185
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -216.135888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.135888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.135888 (E_RNA)
where:
Base-Base interactions energy: -138.911
where: short stacking energy: -63.971
Base-Backbone interact. energy: -0.043
local terms energy: -77.181145
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -10.571
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -19.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -218.106981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.106981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.106981 (E_RNA)
where:
Base-Base interactions energy: -139.077
where: short stacking energy: -68.425
Base-Backbone interact. energy: -0.001
local terms energy: -79.028905
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -13.616
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: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -217.413467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.413467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.413467 (E_RNA)
where:
Base-Base interactions energy: -136.723
where: short stacking energy: -66.344
Base-Backbone interact. energy: -0.058
local terms energy: -80.632561
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -227.896846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.896846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.896846 (E_RNA)
where:
Base-Base interactions energy: -155.842
where: short stacking energy: -60.011
Base-Backbone interact. energy: -0.124
local terms energy: -71.930814
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -17.948
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: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -194.358149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.358149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.358149 (E_RNA)
where:
Base-Base interactions energy: -121.004
where: short stacking energy: -46.822
Base-Backbone interact. energy: -0.555
local terms energy: -72.798644
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -14.046
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: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -176.116979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.116979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.116979 (E_RNA)
where:
Base-Base interactions energy: -110.607
where: short stacking energy: -49.784
Base-Backbone interact. energy: -0.628
local terms energy: -64.882261
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -9.519
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: 7, replica: 6
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -161.221560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.221560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.221560 (E_RNA)
where:
Base-Base interactions energy: -99.786
where: short stacking energy: -44.321
Base-Backbone interact. energy: -0.192
local terms energy: -61.242752
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -99.670608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.670608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.670608 (E_RNA)
where:
Base-Base interactions energy: -40.413
where: short stacking energy: -39.727
Base-Backbone interact. energy: -0.227
local terms energy: -59.030556
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -84.127912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.127912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.127912 (E_RNA)
where:
Base-Base interactions energy: -38.840
where: short stacking energy: -21.433
Base-Backbone interact. energy: -0.402
local terms energy: -44.885849
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: 4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -92.095044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.095044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.095044 (E_RNA)
where:
Base-Base interactions energy: -51.705
where: short stacking energy: -22.323
Base-Backbone interact. energy: -0.091
local terms energy: -40.298645
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -6.980
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: 2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -233.630864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.630864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.630864 (E_RNA)
where:
Base-Base interactions energy: -149.014
where: short stacking energy: -78.263
Base-Backbone interact. energy: -0.063
local terms energy: -84.554506
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -14.794
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: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -208.511820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.511820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.511820 (E_RNA)
where:
Base-Base interactions energy: -136.343
where: short stacking energy: -59.627
Base-Backbone interact. energy: -0.316
local terms energy: -71.852878
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -11.270
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: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -223.608710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.608710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.608710 (E_RNA)
where:
Base-Base interactions energy: -155.313
where: short stacking energy: -63.483
Base-Backbone interact. energy: -0.629
local terms energy: -67.666050
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -198.069598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.069598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.069598 (E_RNA)
where:
Base-Base interactions energy: -123.886
where: short stacking energy: -60.695
Base-Backbone interact. energy: -0.449
local terms energy: -73.734363
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.135
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: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -188.879715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.879715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.879715 (E_RNA)
where:
Base-Base interactions energy: -122.783
where: short stacking energy: -54.455
Base-Backbone interact. energy: -0.664
local terms energy: -65.432910
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -12.250
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: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -181.133926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.133926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.133926 (E_RNA)
where:
Base-Base interactions energy: -113.740
where: short stacking energy: -49.797
Base-Backbone interact. energy: -0.610
local terms energy: -66.783973
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -10.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -147.617406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.617406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.617406 (E_RNA)
where:
Base-Base interactions energy: -78.304
where: short stacking energy: -50.028
Base-Backbone interact. energy: -1.410
local terms energy: -67.903496
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -13.155
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: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -107.982629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.982629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.982629 (E_RNA)
where:
Base-Base interactions energy: -53.876
where: short stacking energy: -39.632
Base-Backbone interact. energy: -1.477
local terms energy: -52.630093
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -83.498888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.498888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.498888 (E_RNA)
where:
Base-Base interactions energy: -42.242
where: short stacking energy: -31.538
Base-Backbone interact. energy: 0.119
local terms energy: -41.375690
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -0.190
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: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -86.125094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.125094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.125094 (E_RNA)
where:
Base-Base interactions energy: -40.487
where: short stacking energy: -32.286
Base-Backbone interact. energy: -0.003
local terms energy: -45.634856
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -228.905889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.905889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.905889 (E_RNA)
where:
Base-Base interactions energy: -145.893
where: short stacking energy: -75.368
Base-Backbone interact. energy: -0.594
local terms energy: -82.418776
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -21.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -210.750442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.750442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.750442 (E_RNA)
where:
Base-Base interactions energy: -139.706
where: short stacking energy: -59.013
Base-Backbone interact. energy: -0.139
local terms energy: -70.905771
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -198.435646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.435646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.435646 (E_RNA)
where:
Base-Base interactions energy: -137.072
where: short stacking energy: -62.435
Base-Backbone interact. energy: -0.100
local terms energy: -61.263736
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -13.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -200.389923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.389923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.389923 (E_RNA)
where:
Base-Base interactions energy: -131.611
where: short stacking energy: -63.060
Base-Backbone interact. energy: -0.386
local terms energy: -68.393397
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -158.131326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.131326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.131326 (E_RNA)
where:
Base-Base interactions energy: -98.477
where: short stacking energy: -59.809
Base-Backbone interact. energy: -0.046
local terms energy: -59.608423
where:
bonds (distance) C4'-P energy: -7.124
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -178.996554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.996554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.996554 (E_RNA)
where:
Base-Base interactions energy: -107.479
where: short stacking energy: -53.302
Base-Backbone interact. energy: 0.393
local terms energy: -71.910705
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -164.029866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.029866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.029866 (E_RNA)
where:
Base-Base interactions energy: -107.160
where: short stacking energy: -45.707
Base-Backbone interact. energy: 1.202
local terms energy: -58.072080
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -88.347928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.347928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.347928 (E_RNA)
where:
Base-Base interactions energy: -36.910
where: short stacking energy: -32.612
Base-Backbone interact. energy: -0.217
local terms energy: -51.220291
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -4.364
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: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -85.282920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.282920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.282920 (E_RNA)
where:
Base-Base interactions energy: -40.958
where: short stacking energy: -40.958
Base-Backbone interact. energy: -0.016
local terms energy: -44.309053
where:
bonds (distance) C4'-P energy: -6.123
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -77.802037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.802037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.802037 (E_RNA)
where:
Base-Base interactions energy: -24.969
where: short stacking energy: -24.589
Base-Backbone interact. energy: 0.235
local terms energy: -53.068434
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -218.802710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.802710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.802710 (E_RNA)
where:
Base-Base interactions energy: -146.818
where: short stacking energy: -66.940
Base-Backbone interact. energy: -0.372
local terms energy: -71.611982
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -215.387630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.387630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.387630 (E_RNA)
where:
Base-Base interactions energy: -143.693
where: short stacking energy: -57.443
Base-Backbone interact. energy: -0.096
local terms energy: -71.598947
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -11.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -210.925211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.925211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.925211 (E_RNA)
where:
Base-Base interactions energy: -144.499
where: short stacking energy: -61.965
Base-Backbone interact. energy: -0.053
local terms energy: -66.373108
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -5.607
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: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -198.628015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.628015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.628015 (E_RNA)
where:
Base-Base interactions energy: -133.145
where: short stacking energy: -58.585
Base-Backbone interact. energy: -0.508
local terms energy: -64.975162
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -8.365
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: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -177.951543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.951543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.951543 (E_RNA)
where:
Base-Base interactions energy: -105.101
where: short stacking energy: -52.450
Base-Backbone interact. energy: -0.051
local terms energy: -72.800168
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -15.143
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: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -199.330773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.330773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.330773 (E_RNA)
where:
Base-Base interactions energy: -125.725
where: short stacking energy: -54.003
Base-Backbone interact. energy: -1.034
local terms energy: -72.571499
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -153.809132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.809132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.809132 (E_RNA)
where:
Base-Base interactions energy: -90.444
where: short stacking energy: -51.795
Base-Backbone interact. energy: 0.720
local terms energy: -64.085264
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -92.469449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.469449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.469449 (E_RNA)
where:
Base-Base interactions energy: -35.857
where: short stacking energy: -34.068
Base-Backbone interact. energy: -0.210
local terms energy: -56.402553
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -6.247
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: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -85.745249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.745249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.745249 (E_RNA)
where:
Base-Base interactions energy: -35.108
where: short stacking energy: -32.373
Base-Backbone interact. energy: -0.142
local terms energy: -50.495129
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -5.002
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: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -79.525722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.525722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.525722 (E_RNA)
where:
Base-Base interactions energy: -37.062
where: short stacking energy: -37.062
Base-Backbone interact. energy: -0.218
local terms energy: -42.244967
where:
bonds (distance) C4'-P energy: -7.199
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -8.586
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -235.283316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.283316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.283316 (E_RNA)
where:
Base-Base interactions energy: -151.843
where: short stacking energy: -79.658
Base-Backbone interact. energy: -0.001
local terms energy: -83.439903
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -22.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -214.398511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.398511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.398511 (E_RNA)
where:
Base-Base interactions energy: -131.278
where: short stacking energy: -62.227
Base-Backbone interact. energy: -0.001
local terms energy: -83.119763
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -213.072916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.072916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.072916 (E_RNA)
where:
Base-Base interactions energy: -144.814
where: short stacking energy: -63.826
Base-Backbone interact. energy: 0.452
local terms energy: -68.710991
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -11.351
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: 4
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -198.109796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.109796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.109796 (E_RNA)
where:
Base-Base interactions energy: -129.964
where: short stacking energy: -54.094
Base-Backbone interact. energy: 0.532
local terms energy: -68.677763
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -165.659262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.659262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.659262 (E_RNA)
where:
Base-Base interactions energy: -100.306
where: short stacking energy: -46.925
Base-Backbone interact. energy: -1.124
local terms energy: -64.229013
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -11.072
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: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -166.618610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.618610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.618610 (E_RNA)
where:
Base-Base interactions energy: -99.548
where: short stacking energy: -47.051
Base-Backbone interact. energy: 0.100
local terms energy: -67.170950
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -11.541
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: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -181.573637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.573637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.573637 (E_RNA)
where:
Base-Base interactions energy: -121.988
where: short stacking energy: -57.085
Base-Backbone interact. energy: -0.318
local terms energy: -59.267149
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -11.463
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: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -96.889664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.889664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.889664 (E_RNA)
where:
Base-Base interactions energy: -42.710
where: short stacking energy: -34.480
Base-Backbone interact. energy: 0.507
local terms energy: -54.686990
where:
bonds (distance) C4'-P energy: -2.490
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -12.509
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: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -88.657439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.657439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.657439 (E_RNA)
where:
Base-Base interactions energy: -46.645
where: short stacking energy: -41.609
Base-Backbone interact. energy: 0.113
local terms energy: -42.125223
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -5.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -87.913233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.913233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.913233 (E_RNA)
where:
Base-Base interactions energy: -35.151
where: short stacking energy: -33.128
Base-Backbone interact. energy: -0.107
local terms energy: -52.656148
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -218.929789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.929789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.929789 (E_RNA)
where:
Base-Base interactions energy: -137.810
where: short stacking energy: -72.849
Base-Backbone interact. energy: -1.179
local terms energy: -79.940887
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -20.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -215.277102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.277102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.277102 (E_RNA)
where:
Base-Base interactions energy: -140.929
where: short stacking energy: -68.674
Base-Backbone interact. energy: -0.066
local terms energy: -74.281919
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -17.641
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: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -237.445741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.445741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.445741 (E_RNA)
where:
Base-Base interactions energy: -165.040
where: short stacking energy: -70.802
Base-Backbone interact. energy: -0.602
local terms energy: -71.803453
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -20.693
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: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -195.819788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.819788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.819788 (E_RNA)
where:
Base-Base interactions energy: -122.643
where: short stacking energy: -63.073
Base-Backbone interact. energy: 1.540
local terms energy: -74.716973
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -16.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -178.735476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.735476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.735476 (E_RNA)
where:
Base-Base interactions energy: -103.760
where: short stacking energy: -58.017
Base-Backbone interact. energy: -1.049
local terms energy: -73.925929
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -11.488
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: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -168.820500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.820500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.820500 (E_RNA)
where:
Base-Base interactions energy: -105.081
where: short stacking energy: -48.594
Base-Backbone interact. energy: -0.044
local terms energy: -63.695495
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -106.338279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.338279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.338279 (E_RNA)
where:
Base-Base interactions energy: -50.703
where: short stacking energy: -42.928
Base-Backbone interact. energy: -0.113
local terms energy: -55.522431
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -172.370721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.370721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.370721 (E_RNA)
where:
Base-Base interactions energy: -102.063
where: short stacking energy: -56.493
Base-Backbone interact. energy: -0.008
local terms energy: -70.299416
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -10.253
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: 9, replica: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -146.287651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.287651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.287651 (E_RNA)
where:
Base-Base interactions energy: -85.038
where: short stacking energy: -44.577
Base-Backbone interact. energy: -0.156
local terms energy: -61.094309
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -9.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -83.475730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.475730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.475730 (E_RNA)
where:
Base-Base interactions energy: -28.084
where: short stacking energy: -24.005
Base-Backbone interact. energy: -0.070
local terms energy: -55.321886
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: 0.750
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: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -218.617147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.617147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.617147 (E_RNA)
where:
Base-Base interactions energy: -142.989
where: short stacking energy: -70.405
Base-Backbone interact. energy: -0.180
local terms energy: -75.448601
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -235.772806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.772806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.772806 (E_RNA)
where:
Base-Base interactions energy: -161.309
where: short stacking energy: -79.903
Base-Backbone interact. energy: -0.000
local terms energy: -74.463087
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -21.730
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: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -207.933283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.933283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.933283 (E_RNA)
where:
Base-Base interactions energy: -134.895
where: short stacking energy: -68.058
Base-Backbone interact. energy: -0.010
local terms energy: -73.028882
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -20.016
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: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -179.638704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.638704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.638704 (E_RNA)
where:
Base-Base interactions energy: -114.899
where: short stacking energy: -65.736
Base-Backbone interact. energy: 0.140
local terms energy: -64.879993
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -14.830
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: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -165.816883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.816883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.816883 (E_RNA)
where:
Base-Base interactions energy: -93.491
where: short stacking energy: -50.256
Base-Backbone interact. energy: -0.252
local terms energy: -72.074147
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -12.130
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: 461
Temperature: 1.150000
Total energy: -172.618439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.618439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.618439 (E_RNA)
where:
Base-Base interactions energy: -102.202
where: short stacking energy: -51.905
Base-Backbone interact. energy: 1.313
local terms energy: -71.728640
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -97.488721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.488721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.488721 (E_RNA)
where:
Base-Base interactions energy: -36.195
where: short stacking energy: -36.195
Base-Backbone interact. energy: -0.409
local terms energy: -60.884304
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -162.647032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.647032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.647032 (E_RNA)
where:
Base-Base interactions energy: -106.004
where: short stacking energy: -54.486
Base-Backbone interact. energy: 1.046
local terms energy: -57.689435
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -13.557
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: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -163.911675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.911675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.911675 (E_RNA)
where:
Base-Base interactions energy: -100.225
where: short stacking energy: -59.235
Base-Backbone interact. energy: -0.048
local terms energy: -63.638522
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -74.929876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.929876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.929876 (E_RNA)
where:
Base-Base interactions energy: -30.340
where: short stacking energy: -20.052
Base-Backbone interact. energy: -0.813
local terms energy: -43.776049
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -9.306
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: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -214.873242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.873242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.873242 (E_RNA)
where:
Base-Base interactions energy: -136.125
where: short stacking energy: -72.475
Base-Backbone interact. energy: -0.002
local terms energy: -78.746532
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -239.079562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.079562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.079562 (E_RNA)
where:
Base-Base interactions energy: -156.394
where: short stacking energy: -74.967
Base-Backbone interact. energy: -0.001
local terms energy: -82.685315
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -21.916
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: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -191.505141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.505141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.505141 (E_RNA)
where:
Base-Base interactions energy: -119.375
where: short stacking energy: -60.850
Base-Backbone interact. energy: -0.127
local terms energy: -72.003220
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -209.797458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.797458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.797458 (E_RNA)
where:
Base-Base interactions energy: -138.738
where: short stacking energy: -61.334
Base-Backbone interact. energy: -0.315
local terms energy: -70.744526
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -165.563069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.563069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.563069 (E_RNA)
where:
Base-Base interactions energy: -101.462
where: short stacking energy: -46.091
Base-Backbone interact. energy: 1.906
local terms energy: -66.007535
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -9.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -165.132159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.132159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.132159 (E_RNA)
where:
Base-Base interactions energy: -110.286
where: short stacking energy: -38.508
Base-Backbone interact. energy: -0.067
local terms energy: -54.779063
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -180.058158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.058158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.058158 (E_RNA)
where:
Base-Base interactions energy: -112.729
where: short stacking energy: -54.297
Base-Backbone interact. energy: 1.056
local terms energy: -68.385000
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -6.321
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: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -105.715335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.715335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.715335 (E_RNA)
where:
Base-Base interactions energy: -40.802
where: short stacking energy: -39.835
Base-Backbone interact. energy: -0.085
local terms energy: -64.828605
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -11.150
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: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -160.231983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.231983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.231983 (E_RNA)
where:
Base-Base interactions energy: -91.639
where: short stacking energy: -44.674
Base-Backbone interact. energy: -0.304
local terms energy: -68.288638
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -79.208530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.208530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.208530 (E_RNA)
where:
Base-Base interactions energy: -18.306
where: short stacking energy: -18.146
Base-Backbone interact. energy: -0.216
local terms energy: -60.685929
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -236.852343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.852343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.852343 (E_RNA)
where:
Base-Base interactions energy: -152.634
where: short stacking energy: -81.505
Base-Backbone interact. energy: -0.002
local terms energy: -84.216876
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -22.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -228.283751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.283751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.283751 (E_RNA)
where:
Base-Base interactions energy: -146.239
where: short stacking energy: -80.688
Base-Backbone interact. energy: -0.002
local terms energy: -82.042851
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -22.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -238.104050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.104050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.104050 (E_RNA)
where:
Base-Base interactions energy: -156.596
where: short stacking energy: -74.933
Base-Backbone interact. energy: -0.435
local terms energy: -81.072694
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -23.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -203.388532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.388532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.388532 (E_RNA)
where:
Base-Base interactions energy: -129.451
where: short stacking energy: -59.413
Base-Backbone interact. energy: -0.519
local terms energy: -73.419091
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -198.613046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.613046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.613046 (E_RNA)
where:
Base-Base interactions energy: -119.661
where: short stacking energy: -62.718
Base-Backbone interact. energy: -1.150
local terms energy: -77.801799
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -166.104937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.104937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.104937 (E_RNA)
where:
Base-Base interactions energy: -103.114
where: short stacking energy: -48.418
Base-Backbone interact. energy: -0.549
local terms energy: -62.441105
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -8.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -171.503302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.503302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.503302 (E_RNA)
where:
Base-Base interactions energy: -116.944
where: short stacking energy: -54.435
Base-Backbone interact. energy: -0.089
local terms energy: -54.470181
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -8.260
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -13.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -157.321156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.321156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.321156 (E_RNA)
where:
Base-Base interactions energy: -92.327
where: short stacking energy: -41.732
Base-Backbone interact. energy: -0.480
local terms energy: -64.514186
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -9.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -89.298546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.298546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.298546 (E_RNA)
where:
Base-Base interactions energy: -41.725
where: short stacking energy: -30.430
Base-Backbone interact. energy: -0.210
local terms energy: -47.363512
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -78.133091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.133091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.133091 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -31.639
Base-Backbone interact. energy: -1.022
local terms energy: -45.409456
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -2.058
tors. eta vs tors. theta energy: -6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -221.270103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.270103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.270103 (E_RNA)
where:
Base-Base interactions energy: -141.656
where: short stacking energy: -70.434
Base-Backbone interact. energy: -0.030
local terms energy: -79.584067
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -218.083962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.083962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.083962 (E_RNA)
where:
Base-Base interactions energy: -143.044
where: short stacking energy: -78.949
Base-Backbone interact. energy: -0.077
local terms energy: -74.963547
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -206.952524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.952524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.952524 (E_RNA)
where:
Base-Base interactions energy: -132.618
where: short stacking energy: -60.387
Base-Backbone interact. energy: -0.059
local terms energy: -74.275630
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -222.596992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.596992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.596992 (E_RNA)
where:
Base-Base interactions energy: -147.806
where: short stacking energy: -61.679
Base-Backbone interact. energy: -0.469
local terms energy: -74.321512
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -20.706
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: 6
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -176.766882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.766882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.766882 (E_RNA)
where:
Base-Base interactions energy: -108.890
where: short stacking energy: -65.782
Base-Backbone interact. energy: -0.517
local terms energy: -67.359779
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -11.418
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: 6, replica: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -185.282267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.282267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.282267 (E_RNA)
where:
Base-Base interactions energy: -120.619
where: short stacking energy: -54.629
Base-Backbone interact. energy: -0.042
local terms energy: -64.621708
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -164.464856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.464856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.464856 (E_RNA)
where:
Base-Base interactions energy: -99.569
where: short stacking energy: -46.032
Base-Backbone interact. energy: -0.241
local terms energy: -64.655551
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -11.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -145.196590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.196590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.196590 (E_RNA)
where:
Base-Base interactions energy: -98.628
where: short stacking energy: -40.956
Base-Backbone interact. energy: -0.280
local terms energy: -46.289034
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -8.827
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -81.013966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.013966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.013966 (E_RNA)
where:
Base-Base interactions energy: -33.492
where: short stacking energy: -29.036
Base-Backbone interact. energy: -0.186
local terms energy: -47.336091
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -7.122
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -81.596335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.596335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.596335 (E_RNA)
where:
Base-Base interactions energy: -29.342
where: short stacking energy: -26.833
Base-Backbone interact. energy: -1.268
local terms energy: -50.986209
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -7.321
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: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -218.977324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.977324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.977324 (E_RNA)
where:
Base-Base interactions energy: -141.055
where: short stacking energy: -70.368
Base-Backbone interact. energy: -0.024
local terms energy: -77.898639
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -217.020151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.020151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.020151 (E_RNA)
where:
Base-Base interactions energy: -142.373
where: short stacking energy: -67.930
Base-Backbone interact. energy: -1.513
local terms energy: -73.133949
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -196.840252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.840252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.840252 (E_RNA)
where:
Base-Base interactions energy: -128.057
where: short stacking energy: -54.276
Base-Backbone interact. energy: -0.807
local terms energy: -67.976572
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -16.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -182.345506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.345506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.345506 (E_RNA)
where:
Base-Base interactions energy: -115.083
where: short stacking energy: -45.756
Base-Backbone interact. energy: -0.683
local terms energy: -66.579616
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -7.806
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: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -182.064795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.064795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.064795 (E_RNA)
where:
Base-Base interactions energy: -113.644
where: short stacking energy: -45.922
Base-Backbone interact. energy: -0.041
local terms energy: -68.379572
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -14.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -181.440439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.440439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.440439 (E_RNA)
where:
Base-Base interactions energy: -109.221
where: short stacking energy: -50.482
Base-Backbone interact. energy: -0.793
local terms energy: -71.426126
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -167.357211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.357211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.357211 (E_RNA)
where:
Base-Base interactions energy: -111.525
where: short stacking energy: -57.666
Base-Backbone interact. energy: -0.212
local terms energy: -55.620629
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -9.782
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: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -150.023356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.023356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.023356 (E_RNA)
where:
Base-Base interactions energy: -103.821
where: short stacking energy: -44.661
Base-Backbone interact. energy: -0.249
local terms energy: -45.953037
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -85.683586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.683586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.683586 (E_RNA)
where:
Base-Base interactions energy: -31.023
where: short stacking energy: -29.134
Base-Backbone interact. energy: -0.111
local terms energy: -54.549732
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -4.070
tors. eta vs tors. theta energy: -8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -92.542038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.542038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.542038 (E_RNA)
where:
Base-Base interactions energy: -33.291
where: short stacking energy: -33.221
Base-Backbone interact. energy: -0.013
local terms energy: -59.237258
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -222.084258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.084258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.084258 (E_RNA)
where:
Base-Base interactions energy: -140.636
where: short stacking energy: -67.568
Base-Backbone interact. energy: -0.102
local terms energy: -81.345828
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -23.585
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: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -212.275528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.275528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.275528 (E_RNA)
where:
Base-Base interactions energy: -140.294
where: short stacking energy: -68.112
Base-Backbone interact. energy: -0.021
local terms energy: -71.960929
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -10.594
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: 3, replica: 6
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -193.171644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.171644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.171644 (E_RNA)
where:
Base-Base interactions energy: -124.109
where: short stacking energy: -50.009
Base-Backbone interact. energy: -1.312
local terms energy: -67.750782
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -207.398804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.398804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.398804 (E_RNA)
where:
Base-Base interactions energy: -132.306
where: short stacking energy: -68.048
Base-Backbone interact. energy: -0.012
local terms energy: -75.081212
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -204.181560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.181560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.181560 (E_RNA)
where:
Base-Base interactions energy: -138.929
where: short stacking energy: -66.524
Base-Backbone interact. energy: -0.249
local terms energy: -65.003531
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -13.742
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: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -178.709762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.709762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.709762 (E_RNA)
where:
Base-Base interactions energy: -121.642
where: short stacking energy: -47.923
Base-Backbone interact. energy: -1.358
local terms energy: -55.709835
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -11.729
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: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -161.357075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.357075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.357075 (E_RNA)
where:
Base-Base interactions energy: -99.156
where: short stacking energy: -48.441
Base-Backbone interact. energy: -0.005
local terms energy: -62.196808
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -5.054
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: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -157.516987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.516987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.516987 (E_RNA)
where:
Base-Base interactions energy: -104.442
where: short stacking energy: -46.708
Base-Backbone interact. energy: 0.625
local terms energy: -53.700810
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -12.131
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: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -93.810721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.810721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.810721 (E_RNA)
where:
Base-Base interactions energy: -29.620
where: short stacking energy: -28.193
Base-Backbone interact. energy: -0.088
local terms energy: -64.102798
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -90.272433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.272433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.272433 (E_RNA)
where:
Base-Base interactions energy: -36.030
where: short stacking energy: -36.030
Base-Backbone interact. energy: -0.012
local terms energy: -54.230347
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -216.021909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.021909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.021909 (E_RNA)
where:
Base-Base interactions energy: -135.293
where: short stacking energy: -68.010
Base-Backbone interact. energy: -0.174
local terms energy: -80.555125
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -9.425
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: 2, replica: 6
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -195.781294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.781294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.781294 (E_RNA)
where:
Base-Base interactions energy: -120.613
where: short stacking energy: -64.501
Base-Backbone interact. energy: -0.284
local terms energy: -74.884417
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -216.065513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.065513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.065513 (E_RNA)
where:
Base-Base interactions energy: -136.367
where: short stacking energy: -65.906
Base-Backbone interact. energy: -0.100
local terms energy: -79.598255
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -208.376483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.376483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.376483 (E_RNA)
where:
Base-Base interactions energy: -138.365
where: short stacking energy: -70.255
Base-Backbone interact. energy: -0.013
local terms energy: -69.998961
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -184.993328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.993328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.993328 (E_RNA)
where:
Base-Base interactions energy: -116.755
where: short stacking energy: -60.534
Base-Backbone interact. energy: -0.604
local terms energy: -67.634323
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -143.649857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.649857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.649857 (E_RNA)
where:
Base-Base interactions energy: -90.493
where: short stacking energy: -46.426
Base-Backbone interact. energy: 0.462
local terms energy: -53.619059
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -1.531
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -189.314397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.314397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.314397 (E_RNA)
where:
Base-Base interactions energy: -122.753
where: short stacking energy: -65.276
Base-Backbone interact. energy: -1.974
local terms energy: -64.586805
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -10.911
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: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -175.559710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.559710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.559710 (E_RNA)
where:
Base-Base interactions energy: -112.976
where: short stacking energy: -52.662
Base-Backbone interact. energy: -0.017
local terms energy: -62.566879
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -15.137
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: 467
Temperature: 1.300000
Total energy: -97.457443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.457443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.457443 (E_RNA)
where:
Base-Base interactions energy: -42.298
where: short stacking energy: -39.725
Base-Backbone interact. energy: -0.383
local terms energy: -54.776619
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -8.945
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: 10, replica: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -88.847269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.847269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.847269 (E_RNA)
where:
Base-Base interactions energy: -33.505
where: short stacking energy: -33.505
Base-Backbone interact. energy: -0.113
local terms energy: -55.230208
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -221.852728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.852728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.852728 (E_RNA)
where:
Base-Base interactions energy: -145.602
where: short stacking energy: -71.825
Base-Backbone interact. energy: -1.066
local terms energy: -75.184456
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -18.634
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: 6
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -203.402222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.402222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.402222 (E_RNA)
where:
Base-Base interactions energy: -129.206
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.543
local terms energy: -73.653479
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -15.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -226.803045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.803045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.803045 (E_RNA)
where:
Base-Base interactions energy: -151.196
where: short stacking energy: -74.376
Base-Backbone interact. energy: -0.005
local terms energy: -75.601570
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -23.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -180.036318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.036318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.036318 (E_RNA)
where:
Base-Base interactions energy: -106.039
where: short stacking energy: -50.183
Base-Backbone interact. energy: -0.531
local terms energy: -73.465723
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -11.029
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: 5, replica: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -167.101875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.101875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.101875 (E_RNA)
where:
Base-Base interactions energy: -102.178
where: short stacking energy: -49.143
Base-Backbone interact. energy: -0.121
local terms energy: -64.803248
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -179.702399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.702399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.702399 (E_RNA)
where:
Base-Base interactions energy: -109.158
where: short stacking energy: -58.269
Base-Backbone interact. energy: -0.071
local terms energy: -70.473213
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -14.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -177.551771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.551771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.551771 (E_RNA)
where:
Base-Base interactions energy: -115.285
where: short stacking energy: -45.955
Base-Backbone interact. energy: -0.340
local terms energy: -61.926850
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -12.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -144.109303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.109303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.109303 (E_RNA)
where:
Base-Base interactions energy: -86.575
where: short stacking energy: -44.990
Base-Backbone interact. energy: -0.099
local terms energy: -57.435909
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -9.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -87.669329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.669329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.669329 (E_RNA)
where:
Base-Base interactions energy: -36.813
where: short stacking energy: -29.048
Base-Backbone interact. energy: -0.161
local terms energy: -50.695432
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -91.646687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.646687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.646687 (E_RNA)
where:
Base-Base interactions energy: -41.460
where: short stacking energy: -40.093
Base-Backbone interact. energy: -0.167
local terms energy: -50.019592
where:
bonds (distance) C4'-P energy: -7.758
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -227.245572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.245572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.245572 (E_RNA)
where:
Base-Base interactions energy: -145.234
where: short stacking energy: -74.599
Base-Backbone interact. energy: -1.064
local terms energy: -80.947858
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -215.503997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.503997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.503997 (E_RNA)
where:
Base-Base interactions energy: -140.053
where: short stacking energy: -65.527
Base-Backbone interact. energy: -0.129
local terms energy: -75.321984
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -196.718701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.718701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.718701 (E_RNA)
where:
Base-Base interactions energy: -127.301
where: short stacking energy: -63.740
Base-Backbone interact. energy: 0.166
local terms energy: -69.584027
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -175.570396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.570396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.570396 (E_RNA)
where:
Base-Base interactions energy: -101.662
where: short stacking energy: -49.194
Base-Backbone interact. energy: -0.562
local terms energy: -73.346466
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -11.106
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: 469
Temperature: 1.100000
Total energy: -182.777341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.777341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.777341 (E_RNA)
where:
Base-Base interactions energy: -119.389
where: short stacking energy: -53.595
Base-Backbone interact. energy: -0.136
local terms energy: -63.252234
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -176.053624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.053624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.053624 (E_RNA)
where:
Base-Base interactions energy: -109.487
where: short stacking energy: -50.495
Base-Backbone interact. energy: -0.362
local terms energy: -66.204429
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -10.121
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -176.818543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.818543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.818543 (E_RNA)
where:
Base-Base interactions energy: -116.711
where: short stacking energy: -52.038
Base-Backbone interact. energy: 1.064
local terms energy: -61.171584
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -10.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -151.906912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.906912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.906912 (E_RNA)
where:
Base-Base interactions energy: -88.188
where: short stacking energy: -32.923
Base-Backbone interact. energy: -2.583
local terms energy: -61.135815
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -93.338581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.338581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.338581 (E_RNA)
where:
Base-Base interactions energy: -35.166
where: short stacking energy: -35.166
Base-Backbone interact. energy: 0.847
local terms energy: -59.019858
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -84.338195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.338195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.338195 (E_RNA)
where:
Base-Base interactions energy: -32.053
where: short stacking energy: -32.053
Base-Backbone interact. energy: -2.282
local terms energy: -50.003569
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -3.467
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: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -220.613540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.613540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.613540 (E_RNA)
where:
Base-Base interactions energy: -142.562
where: short stacking energy: -71.037
Base-Backbone interact. energy: -0.001
local terms energy: -78.050395
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -13.173
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: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -223.240252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.240252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.240252 (E_RNA)
where:
Base-Base interactions energy: -145.232
where: short stacking energy: -76.943
Base-Backbone interact. energy: -0.002
local terms energy: -78.006590
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -13.412
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: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -188.519424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.519424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.519424 (E_RNA)
where:
Base-Base interactions energy: -121.219
where: short stacking energy: -56.001
Base-Backbone interact. energy: -0.107
local terms energy: -67.194286
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -197.306832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.306832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.306832 (E_RNA)
where:
Base-Base interactions energy: -130.794
where: short stacking energy: -54.816
Base-Backbone interact. energy: -0.046
local terms energy: -66.466838
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -11.605
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: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -195.954042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.954042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.954042 (E_RNA)
where:
Base-Base interactions energy: -125.799
where: short stacking energy: -62.823
Base-Backbone interact. energy: -0.778
local terms energy: -69.376970
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -144.444068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.444068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.444068 (E_RNA)
where:
Base-Base interactions energy: -88.358
where: short stacking energy: -36.091
Base-Backbone interact. energy: -0.035
local terms energy: -56.050883
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -143.034474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.034474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.034474 (E_RNA)
where:
Base-Base interactions energy: -88.153
where: short stacking energy: -41.285
Base-Backbone interact. energy: -0.275
local terms energy: -54.607179
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -6.109
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: 8, replica: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -188.811476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.811476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.811476 (E_RNA)
where:
Base-Base interactions energy: -120.847
where: short stacking energy: -56.044
Base-Backbone interact. energy: -0.908
local terms energy: -67.056866
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -15.731
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: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -87.620149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.620149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.620149 (E_RNA)
where:
Base-Base interactions energy: -35.199
where: short stacking energy: -34.160
Base-Backbone interact. energy: -0.178
local terms energy: -52.242993
where:
bonds (distance) C4'-P energy: -7.953
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -88.459127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.459127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.459127 (E_RNA)
where:
Base-Base interactions energy: -34.244
where: short stacking energy: -32.640
Base-Backbone interact. energy: -1.646
local terms energy: -52.568716
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -230.220360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.220360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.220360 (E_RNA)
where:
Base-Base interactions energy: -150.037
where: short stacking energy: -67.893
Base-Backbone interact. energy: -0.097
local terms energy: -80.086956
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -12.700
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: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -206.756852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.756852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.756852 (E_RNA)
where:
Base-Base interactions energy: -129.187
where: short stacking energy: -62.387
Base-Backbone interact. energy: -0.201
local terms energy: -77.369417
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -17.291
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: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -214.938169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.938169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.938169 (E_RNA)
where:
Base-Base interactions energy: -149.298
where: short stacking energy: -66.557
Base-Backbone interact. energy: -0.077
local terms energy: -65.563427
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.084
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: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -214.626474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.626474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.626474 (E_RNA)
where:
Base-Base interactions energy: -144.088
where: short stacking energy: -53.058
Base-Backbone interact. energy: -0.361
local terms energy: -70.177059
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -205.350740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.350740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.350740 (E_RNA)
where:
Base-Base interactions energy: -130.967
where: short stacking energy: -65.574
Base-Backbone interact. energy: -0.375
local terms energy: -74.009273
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -134.566917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.566917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.566917 (E_RNA)
where:
Base-Base interactions energy: -83.745
where: short stacking energy: -39.076
Base-Backbone interact. energy: -0.364
local terms energy: -50.458100
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -157.977101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.977101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.977101 (E_RNA)
where:
Base-Base interactions energy: -85.976
where: short stacking energy: -50.102
Base-Backbone interact. energy: -0.076
local terms energy: -71.924706
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -170.659049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.659049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.659049 (E_RNA)
where:
Base-Base interactions energy: -104.668
where: short stacking energy: -57.719
Base-Backbone interact. energy: -0.013
local terms energy: -65.977748
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -92.310566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.310566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.310566 (E_RNA)
where:
Base-Base interactions energy: -44.186
where: short stacking energy: -36.359
Base-Backbone interact. energy: 1.685
local terms energy: -49.810385
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -84.698768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.698768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.698768 (E_RNA)
where:
Base-Base interactions energy: -30.317
where: short stacking energy: -30.317
Base-Backbone interact. energy: -0.299
local terms energy: -54.082721
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -214.330797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.330797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.330797 (E_RNA)
where:
Base-Base interactions energy: -140.548
where: short stacking energy: -63.864
Base-Backbone interact. energy: -0.529
local terms energy: -73.253660
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -225.877822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.877822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.877822 (E_RNA)
where:
Base-Base interactions energy: -150.422
where: short stacking energy: -77.284
Base-Backbone interact. energy: -0.010
local terms energy: -75.445836
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -229.910759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.910759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.910759 (E_RNA)
where:
Base-Base interactions energy: -151.929
where: short stacking energy: -64.438
Base-Backbone interact. energy: -0.432
local terms energy: -77.550085
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -12.748
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: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -205.419283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.419283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.419283 (E_RNA)
where:
Base-Base interactions energy: -140.323
where: short stacking energy: -60.704
Base-Backbone interact. energy: -0.013
local terms energy: -65.083026
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -204.475056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.475056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.475056 (E_RNA)
where:
Base-Base interactions energy: -131.235
where: short stacking energy: -79.866
Base-Backbone interact. energy: -0.008
local terms energy: -73.232011
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -10.701
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: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -159.726805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.726805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.726805 (E_RNA)
where:
Base-Base interactions energy: -99.624
where: short stacking energy: -45.560
Base-Backbone interact. energy: -0.393
local terms energy: -59.710115
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -176.903870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.903870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.903870 (E_RNA)
where:
Base-Base interactions energy: -103.684
where: short stacking energy: -51.339
Base-Backbone interact. energy: -0.449
local terms energy: -72.771100
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -12.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -155.452322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.452322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.452322 (E_RNA)
where:
Base-Base interactions energy: -98.322
where: short stacking energy: -47.950
Base-Backbone interact. energy: -0.889
local terms energy: -56.240330
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -90.725251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.725251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.725251 (E_RNA)
where:
Base-Base interactions energy: -35.840
where: short stacking energy: -35.126
Base-Backbone interact. energy: 0.475
local terms energy: -55.360258
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -7.411
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: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -83.479404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.479404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.479404 (E_RNA)
where:
Base-Base interactions energy: -33.116
where: short stacking energy: -20.874
Base-Backbone interact. energy: -0.380
local terms energy: -49.984157
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -10.327
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: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -215.551447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.551447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.551447 (E_RNA)
where:
Base-Base interactions energy: -146.092
where: short stacking energy: -65.434
Base-Backbone interact. energy: -1.054
local terms energy: -68.405251
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -9.441
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: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -237.348671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.348671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.348671 (E_RNA)
where:
Base-Base interactions energy: -160.760
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.304
local terms energy: -76.285027
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -19.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -218.160517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.160517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.160517 (E_RNA)
where:
Base-Base interactions energy: -139.589
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.000
local terms energy: -78.571576
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -211.061351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.061351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.061351 (E_RNA)
where:
Base-Base interactions energy: -135.674
where: short stacking energy: -67.080
Base-Backbone interact. energy: -0.001
local terms energy: -75.386456
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -17.306
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: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -193.538577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.538577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.538577 (E_RNA)
where:
Base-Base interactions energy: -117.638
where: short stacking energy: -65.614
Base-Backbone interact. energy: -0.287
local terms energy: -75.613585
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -183.056330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.056330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.056330 (E_RNA)
where:
Base-Base interactions energy: -109.005
where: short stacking energy: -60.788
Base-Backbone interact. energy: 0.042
local terms energy: -74.093040
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -20.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -153.312799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.312799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.312799 (E_RNA)
where:
Base-Base interactions energy: -96.586
where: short stacking energy: -46.063
Base-Backbone interact. energy: -1.052
local terms energy: -55.675043
where:
bonds (distance) C4'-P energy: -5.745
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -99.847639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.847639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.847639 (E_RNA)
where:
Base-Base interactions energy: -50.746
where: short stacking energy: -37.874
Base-Backbone interact. energy: -0.081
local terms energy: -49.020406
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -168.581475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.581475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.581475 (E_RNA)
where:
Base-Base interactions energy: -107.581
where: short stacking energy: -43.423
Base-Backbone interact. energy: -0.915
local terms energy: -60.086271
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -7.464
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: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -86.248465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.248465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.248465 (E_RNA)
where:
Base-Base interactions energy: -33.064
where: short stacking energy: -29.526
Base-Backbone interact. energy: -0.189
local terms energy: -52.995558
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -9.393
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: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -236.074062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.074062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.074062 (E_RNA)
where:
Base-Base interactions energy: -156.702
where: short stacking energy: -69.424
Base-Backbone interact. energy: -0.117
local terms energy: -79.254306
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -21.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -205.222309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.222309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.222309 (E_RNA)
where:
Base-Base interactions energy: -139.466
where: short stacking energy: -60.243
Base-Backbone interact. energy: -0.740
local terms energy: -65.016162
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -8.417
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: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -223.505139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.505139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.505139 (E_RNA)
where:
Base-Base interactions energy: -147.175
where: short stacking energy: -71.908
Base-Backbone interact. energy: -0.486
local terms energy: -75.843826
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -207.304088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.304088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.304088 (E_RNA)
where:
Base-Base interactions energy: -135.988
where: short stacking energy: -72.399
Base-Backbone interact. energy: -0.000
local terms energy: -71.316081
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -193.952564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.952564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.952564 (E_RNA)
where:
Base-Base interactions energy: -113.476
where: short stacking energy: -52.706
Base-Backbone interact. energy: -0.375
local terms energy: -80.101724
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -13.463
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: 6, replica: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -145.218149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.218149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.218149 (E_RNA)
where:
Base-Base interactions energy: -84.091
where: short stacking energy: -43.605
Base-Backbone interact. energy: -0.127
local terms energy: -60.999866
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -3.922
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -94.699331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.699331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.699331 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -40.419
Base-Backbone interact. energy: -0.229
local terms energy: -54.051665
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -6.474
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -10.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -166.741301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.741301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.741301 (E_RNA)
where:
Base-Base interactions energy: -101.338
where: short stacking energy: -45.563
Base-Backbone interact. energy: -1.444
local terms energy: -63.959012
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -12.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -145.466990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.466990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.466990 (E_RNA)
where:
Base-Base interactions energy: -89.587
where: short stacking energy: -46.919
Base-Backbone interact. energy: -0.175
local terms energy: -55.704632
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -82.592503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.592503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.592503 (E_RNA)
where:
Base-Base interactions energy: -34.117
where: short stacking energy: -27.991
Base-Backbone interact. energy: -0.100
local terms energy: -48.375318
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -238.371541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.371541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.371541 (E_RNA)
where:
Base-Base interactions energy: -157.422
where: short stacking energy: -68.378
Base-Backbone interact. energy: -0.119
local terms energy: -80.830651
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -235.497707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.497707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.497707 (E_RNA)
where:
Base-Base interactions energy: -151.111
where: short stacking energy: -73.138
Base-Backbone interact. energy: -0.758
local terms energy: -83.628972
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -22.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -193.983962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.983962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.983962 (E_RNA)
where:
Base-Base interactions energy: -119.004
where: short stacking energy: -55.564
Base-Backbone interact. energy: -0.488
local terms energy: -74.492180
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -219.150576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.150576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.150576 (E_RNA)
where:
Base-Base interactions energy: -146.292
where: short stacking energy: -70.152
Base-Backbone interact. energy: -0.532
local terms energy: -72.326480
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -17.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -190.610063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.610063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.610063 (E_RNA)
where:
Base-Base interactions energy: -129.198
where: short stacking energy: -54.984
Base-Backbone interact. energy: -0.023
local terms energy: -61.389129
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -5.500
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: 6, replica: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -162.539147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.539147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.539147 (E_RNA)
where:
Base-Base interactions energy: -101.957
where: short stacking energy: -50.092
Base-Backbone interact. energy: -0.086
local terms energy: -60.496072
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -10.103
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: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -99.702753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.702753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.702753 (E_RNA)
where:
Base-Base interactions energy: -43.841
where: short stacking energy: -28.630
Base-Backbone interact. energy: -0.289
local terms energy: -55.572389
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -8.663
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -130.016257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.016257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.016257 (E_RNA)
where:
Base-Base interactions energy: -77.800
where: short stacking energy: -43.750
Base-Backbone interact. energy: -1.536
local terms energy: -50.680434
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -85.117006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.117006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.117006 (E_RNA)
where:
Base-Base interactions energy: -33.094
where: short stacking energy: -33.094
Base-Backbone interact. energy: -0.240
local terms energy: -51.782880
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -9.640
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: 10, replica: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -75.449438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.449438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.449438 (E_RNA)
where:
Base-Base interactions energy: -37.649
where: short stacking energy: -23.735
Base-Backbone interact. energy: -0.497
local terms energy: -37.302938
where:
bonds (distance) C4'-P energy: -7.484
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: 4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -220.704644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.704644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.704644 (E_RNA)
where:
Base-Base interactions energy: -147.409
where: short stacking energy: -76.961
Base-Backbone interact. energy: -0.011
local terms energy: -73.285572
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -18.730
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: 2, replica: 6
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -234.580400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.580400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.580400 (E_RNA)
where:
Base-Base interactions energy: -166.095
where: short stacking energy: -70.374
Base-Backbone interact. energy: -0.188
local terms energy: -68.297766
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -186.634975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.634975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.634975 (E_RNA)
where:
Base-Base interactions energy: -119.141
where: short stacking energy: -55.810
Base-Backbone interact. energy: -0.300
local terms energy: -67.193776
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -13.350
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: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -175.550100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.550100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.550100 (E_RNA)
where:
Base-Base interactions energy: -112.775
where: short stacking energy: -61.225
Base-Backbone interact. energy: -0.338
local terms energy: -62.436796
where:
bonds (distance) C4'-P energy: -8.544
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -174.016601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.016601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.016601 (E_RNA)
where:
Base-Base interactions energy: -115.709
where: short stacking energy: -58.315
Base-Backbone interact. energy: -0.277
local terms energy: -58.031033
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -9.279
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -10.831
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: 10
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -195.832245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.832245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.832245 (E_RNA)
where:
Base-Base interactions energy: -128.156
where: short stacking energy: -61.109
Base-Backbone interact. energy: -0.014
local terms energy: -67.662560
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -10.214
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: 7, replica: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -112.317654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.317654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.317654 (E_RNA)
where:
Base-Base interactions energy: -57.820
where: short stacking energy: -36.430
Base-Backbone interact. energy: -0.278
local terms energy: -54.219167
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -3.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -98.924625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.924625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.924625 (E_RNA)
where:
Base-Base interactions energy: -44.634
where: short stacking energy: -42.657
Base-Backbone interact. energy: -0.071
local terms energy: -54.219807
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -94.110741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.110741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.110741 (E_RNA)
where:
Base-Base interactions energy: -42.622
where: short stacking energy: -38.782
Base-Backbone interact. energy: -0.076
local terms energy: -51.412805
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -77.761838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.761838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.761838 (E_RNA)
where:
Base-Base interactions energy: -26.098
where: short stacking energy: -26.098
Base-Backbone interact. energy: -0.229
local terms energy: -51.434837
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: 2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -217.838555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.838555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.838555 (E_RNA)
where:
Base-Base interactions energy: -138.666
where: short stacking energy: -69.004
Base-Backbone interact. energy: -0.632
local terms energy: -78.540289
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -21.414
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: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -207.779683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.779683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.779683 (E_RNA)
where:
Base-Base interactions energy: -135.623
where: short stacking energy: -69.464
Base-Backbone interact. energy: -0.013
local terms energy: -72.144151
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -10.038
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: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -208.029578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.029578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.029578 (E_RNA)
where:
Base-Base interactions energy: -134.884
where: short stacking energy: -51.230
Base-Backbone interact. energy: -0.428
local terms energy: -72.717497
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -14.352
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: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -184.736351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.736351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.736351 (E_RNA)
where:
Base-Base interactions energy: -112.478
where: short stacking energy: -54.465
Base-Backbone interact. energy: -0.136
local terms energy: -72.122160
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -166.115461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.115461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.115461 (E_RNA)
where:
Base-Base interactions energy: -108.127
where: short stacking energy: -57.225
Base-Backbone interact. energy: 0.395
local terms energy: -58.383036
where:
bonds (distance) C4'-P energy: -8.954
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -9.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -174.380255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.380255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.380255 (E_RNA)
where:
Base-Base interactions energy: -110.723
where: short stacking energy: -57.193
Base-Backbone interact. energy: 1.895
local terms energy: -65.552956
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -13.739
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: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -87.191668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.191668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.191668 (E_RNA)
where:
Base-Base interactions energy: -30.270
where: short stacking energy: -29.872
Base-Backbone interact. energy: -0.077
local terms energy: -56.844323
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -8.880
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: 477
Temperature: 1.250000
Total energy: -114.337025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.337025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.337025 (E_RNA)
where:
Base-Base interactions energy: -58.154
where: short stacking energy: -37.631
Base-Backbone interact. energy: -1.430
local terms energy: -54.752425
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -108.386696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.386696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.386696 (E_RNA)
where:
Base-Base interactions energy: -59.614
where: short stacking energy: -30.628
Base-Backbone interact. energy: -0.310
local terms energy: -48.462574
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -81.658303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.658303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.658303 (E_RNA)
where:
Base-Base interactions energy: -31.654
where: short stacking energy: -26.833
Base-Backbone interact. energy: -0.279
local terms energy: -49.724709
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -214.347664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.347664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.347664 (E_RNA)
where:
Base-Base interactions energy: -136.840
where: short stacking energy: -71.896
Base-Backbone interact. energy: 0.558
local terms energy: -78.066058
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -221.738140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.738140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.738140 (E_RNA)
where:
Base-Base interactions energy: -143.085
where: short stacking energy: -72.833
Base-Backbone interact. energy: -0.089
local terms energy: -78.563632
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -7.906
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: 3, replica: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -205.451335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.451335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.451335 (E_RNA)
where:
Base-Base interactions energy: -131.652
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.055
local terms energy: -73.745074
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -9.929
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: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -174.493625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.493625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.493625 (E_RNA)
where:
Base-Base interactions energy: -113.630
where: short stacking energy: -54.767
Base-Backbone interact. energy: -0.114
local terms energy: -60.750169
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -14.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -169.418202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.418202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.418202 (E_RNA)
where:
Base-Base interactions energy: -103.279
where: short stacking energy: -53.573
Base-Backbone interact. energy: 0.551
local terms energy: -66.689867
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -169.690556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.690556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.690556 (E_RNA)
where:
Base-Base interactions energy: -108.863
where: short stacking energy: -56.014
Base-Backbone interact. energy: -0.407
local terms energy: -60.420228
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -8.787
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: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -99.457313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.457313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.457313 (E_RNA)
where:
Base-Base interactions energy: -38.525
where: short stacking energy: -38.525
Base-Backbone interact. energy: -0.643
local terms energy: -60.289403
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -9.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -113.723842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.723842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.723842 (E_RNA)
where:
Base-Base interactions energy: -61.754
where: short stacking energy: -29.102
Base-Backbone interact. energy: -0.802
local terms energy: -51.167866
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -10.415
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: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -93.906959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.906959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.906959 (E_RNA)
where:
Base-Base interactions energy: -40.775
where: short stacking energy: -39.500
Base-Backbone interact. energy: -0.878
local terms energy: -52.254284
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -97.996210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.996210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.996210 (E_RNA)
where:
Base-Base interactions energy: -48.476
where: short stacking energy: -31.383
Base-Backbone interact. energy: -0.213
local terms energy: -49.307033
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -215.912981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.912981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.912981 (E_RNA)
where:
Base-Base interactions energy: -141.047
where: short stacking energy: -75.828
Base-Backbone interact. energy: 1.245
local terms energy: -76.110915
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -234.300294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.300294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.300294 (E_RNA)
where:
Base-Base interactions energy: -154.576
where: short stacking energy: -69.934
Base-Backbone interact. energy: -0.097
local terms energy: -79.626818
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -13.479
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: 3, replica: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -221.423634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.423634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.423634 (E_RNA)
where:
Base-Base interactions energy: -150.709
where: short stacking energy: -74.797
Base-Backbone interact. energy: -1.136
local terms energy: -69.579003
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -186.012429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.012429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.012429 (E_RNA)
where:
Base-Base interactions energy: -120.166
where: short stacking energy: -58.435
Base-Backbone interact. energy: -0.058
local terms energy: -65.788025
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -9.786
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: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -179.512444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.512444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.512444 (E_RNA)
where:
Base-Base interactions energy: -116.218
where: short stacking energy: -48.290
Base-Backbone interact. energy: -0.182
local terms energy: -63.113206
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -164.056894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.056894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.056894 (E_RNA)
where:
Base-Base interactions energy: -98.303
where: short stacking energy: -53.589
Base-Backbone interact. energy: -0.095
local terms energy: -65.658533
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -98.054447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.054447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.054447 (E_RNA)
where:
Base-Base interactions energy: -42.014
where: short stacking energy: -42.014
Base-Backbone interact. energy: -0.139
local terms energy: -55.901164
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -82.159684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.159684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.159684 (E_RNA)
where:
Base-Base interactions energy: -31.904
where: short stacking energy: -31.181
Base-Backbone interact. energy: -0.196
local terms energy: -50.059688
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -83.693799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.693799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.693799 (E_RNA)
where:
Base-Base interactions energy: -44.612
where: short stacking energy: -28.865
Base-Backbone interact. energy: -0.193
local terms energy: -38.888973
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -4.991
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: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -79.904478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.904478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.904478 (E_RNA)
where:
Base-Base interactions energy: -25.229
where: short stacking energy: -25.229
Base-Backbone interact. energy: -0.407
local terms energy: -54.267861
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -238.423183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.423183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.423183 (E_RNA)
where:
Base-Base interactions energy: -160.386
where: short stacking energy: -70.839
Base-Backbone interact. energy: -0.896
local terms energy: -77.141138
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -12.902
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: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -213.464693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.464693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.464693 (E_RNA)
where:
Base-Base interactions energy: -135.337
where: short stacking energy: -65.861
Base-Backbone interact. energy: -0.003
local terms energy: -78.124133
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -12.422
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: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -219.735889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.735889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.735889 (E_RNA)
where:
Base-Base interactions energy: -142.789
where: short stacking energy: -70.515
Base-Backbone interact. energy: -0.025
local terms energy: -76.921763
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -17.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -178.992644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.992644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.992644 (E_RNA)
where:
Base-Base interactions energy: -116.218
where: short stacking energy: -57.683
Base-Backbone interact. energy: -0.233
local terms energy: -62.541770
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -170.054234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.054234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.054234 (E_RNA)
where:
Base-Base interactions energy: -105.398
where: short stacking energy: -47.411
Base-Backbone interact. energy: -0.043
local terms energy: -64.613563
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -176.412652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.412652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.412652 (E_RNA)
where:
Base-Base interactions energy: -117.198
where: short stacking energy: -61.904
Base-Backbone interact. energy: 0.276
local terms energy: -59.490113
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -107.008174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.008174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.008174 (E_RNA)
where:
Base-Base interactions energy: -45.756
where: short stacking energy: -45.756
Base-Backbone interact. energy: -0.030
local terms energy: -61.222221
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -5.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -101.420408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.420408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.420408 (E_RNA)
where:
Base-Base interactions energy: -43.285
where: short stacking energy: -38.461
Base-Backbone interact. energy: -0.046
local terms energy: -58.089779
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -3.636
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: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -90.652376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.652376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.652376 (E_RNA)
where:
Base-Base interactions energy: -41.982
where: short stacking energy: -41.982
Base-Backbone interact. energy: -0.241
local terms energy: -48.428992
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -3.818
tors. eta vs tors. theta energy: -7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -83.163271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.163271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.163271 (E_RNA)
where:
Base-Base interactions energy: -34.947
where: short stacking energy: -34.759
Base-Backbone interact. energy: -0.034
local terms energy: -48.182541
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -236.543440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.543440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.543440 (E_RNA)
where:
Base-Base interactions energy: -150.175
where: short stacking energy: -65.755
Base-Backbone interact. energy: -0.382
local terms energy: -85.986627
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -22.731
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: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -231.503990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.503990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.503990 (E_RNA)
where:
Base-Base interactions energy: -147.852
where: short stacking energy: -69.146
Base-Backbone interact. energy: -0.137
local terms energy: -83.515041
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -213.710612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.710612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.710612 (E_RNA)
where:
Base-Base interactions energy: -140.824
where: short stacking energy: -75.125
Base-Backbone interact. energy: 0.401
local terms energy: -73.287431
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -18.937
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: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -201.241809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.241809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.241809 (E_RNA)
where:
Base-Base interactions energy: -132.199
where: short stacking energy: -66.735
Base-Backbone interact. energy: 0.156
local terms energy: -69.198831
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -180.862383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.862383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.862383 (E_RNA)
where:
Base-Base interactions energy: -119.269
where: short stacking energy: -58.191
Base-Backbone interact. energy: -0.286
local terms energy: -61.307877
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -3.743
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: 2
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -185.412084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.412084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.412084 (E_RNA)
where:
Base-Base interactions energy: -125.490
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.648
local terms energy: -59.273721
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -9.184
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: 481
Temperature: 1.200000
Total energy: -96.312042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.312042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.312042 (E_RNA)
where:
Base-Base interactions energy: -41.668
where: short stacking energy: -28.207
Base-Backbone interact. energy: -0.799
local terms energy: -53.844685
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -2.879
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -104.329116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.329116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.329116 (E_RNA)
where:
Base-Base interactions energy: -49.750
where: short stacking energy: -39.920
Base-Backbone interact. energy: -1.313
local terms energy: -53.265499
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -87.364151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.364151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.364151 (E_RNA)
where:
Base-Base interactions energy: -45.103
where: short stacking energy: -30.754
Base-Backbone interact. energy: -1.152
local terms energy: -41.109847
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -0.998
tors. eta vs tors. theta energy: 0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -87.567979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.567979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.567979 (E_RNA)
where:
Base-Base interactions energy: -34.535
where: short stacking energy: -32.213
Base-Backbone interact. energy: -0.072
local terms energy: -52.961033
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -230.201066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.201066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.201066 (E_RNA)
where:
Base-Base interactions energy: -158.421
where: short stacking energy: -69.090
Base-Backbone interact. energy: -0.519
local terms energy: -71.260886
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -245.188421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.188421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.188421 (E_RNA)
where:
Base-Base interactions energy: -163.503
where: short stacking energy: -71.735
Base-Backbone interact. energy: -0.100
local terms energy: -81.585432
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -222.706866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.706866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.706866 (E_RNA)
where:
Base-Base interactions energy: -147.104
where: short stacking energy: -70.101
Base-Backbone interact. energy: -0.855
local terms energy: -74.748305
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -17.539
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: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -178.082470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.082470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.082470 (E_RNA)
where:
Base-Base interactions energy: -114.773
where: short stacking energy: -60.099
Base-Backbone interact. energy: -0.175
local terms energy: -63.134171
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -12.928
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: 2
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -186.324697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.324697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.324697 (E_RNA)
where:
Base-Base interactions energy: -116.975
where: short stacking energy: -55.307
Base-Backbone interact. energy: -0.535
local terms energy: -68.814000
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -8.798
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -12.421
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: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -170.017134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.017134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.017134 (E_RNA)
where:
Base-Base interactions energy: -113.504
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.087
local terms energy: -56.426473
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -120.945251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.945251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.945251 (E_RNA)
where:
Base-Base interactions energy: -58.467
where: short stacking energy: -46.447
Base-Backbone interact. energy: -0.071
local terms energy: -62.407031
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -7.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -100.632068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.632068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.632068 (E_RNA)
where:
Base-Base interactions energy: -47.997
where: short stacking energy: -32.690
Base-Backbone interact. energy: -0.685
local terms energy: -51.950471
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -7.896
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -97.442508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.442508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.442508 (E_RNA)
where:
Base-Base interactions energy: -38.899
where: short stacking energy: -38.899
Base-Backbone interact. energy: -0.112
local terms energy: -58.431345
where:
bonds (distance) C4'-P energy: -7.069
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -94.727970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.727970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.727970 (E_RNA)
where:
Base-Base interactions energy: -42.296
where: short stacking energy: -28.018
Base-Backbone interact. energy: -0.147
local terms energy: -52.285113
where:
bonds (distance) C4'-P energy: -6.309
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -232.897791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.897791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.897791 (E_RNA)
where:
Base-Base interactions energy: -162.909
where: short stacking energy: -72.163
Base-Backbone interact. energy: -0.133
local terms energy: -69.855239
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -229.184470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.184470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.184470 (E_RNA)
where:
Base-Base interactions energy: -151.759
where: short stacking energy: -65.547
Base-Backbone interact. energy: -0.474
local terms energy: -76.951037
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -17.220
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: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -213.737862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.737862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.737862 (E_RNA)
where:
Base-Base interactions energy: -139.032
where: short stacking energy: -61.286
Base-Backbone interact. energy: -0.015
local terms energy: -74.691053
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -12.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -211.353362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.353362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.353362 (E_RNA)
where:
Base-Base interactions energy: -135.758
where: short stacking energy: -74.275
Base-Backbone interact. energy: -0.000
local terms energy: -75.595361
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -10.303
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: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -181.684285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.684285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.684285 (E_RNA)
where:
Base-Base interactions energy: -117.743
where: short stacking energy: -50.898
Base-Backbone interact. energy: -0.525
local terms energy: -63.416120
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -183.152699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.152699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.152699 (E_RNA)
where:
Base-Base interactions energy: -118.134
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.032
local terms energy: -64.987089
where:
bonds (distance) C4'-P energy: -8.114
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -10.812
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: 7, replica: 1
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -94.573605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.573605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.573605 (E_RNA)
where:
Base-Base interactions energy: -33.819
where: short stacking energy: -32.953
Base-Backbone interact. energy: -0.576
local terms energy: -60.179007
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -104.878971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.878971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.878971 (E_RNA)
where:
Base-Base interactions energy: -50.316
where: short stacking energy: -42.956
Base-Backbone interact. energy: -0.179
local terms energy: -54.384553
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -6.444
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -93.475934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.475934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.475934 (E_RNA)
where:
Base-Base interactions energy: -26.404
where: short stacking energy: -28.489
Base-Backbone interact. energy: -0.134
local terms energy: -66.938497
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -93.754044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.754044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.754044 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -38.337
Base-Backbone interact. energy: -0.218
local terms energy: -55.198224
where:
bonds (distance) C4'-P energy: -8.587
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -8.124
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: 1, replica: 6
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -232.319279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.319279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.319279 (E_RNA)
where:
Base-Base interactions energy: -153.693
where: short stacking energy: -68.359
Base-Backbone interact. energy: -0.112
local terms energy: -78.514760
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -221.036485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.036485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.036485 (E_RNA)
where:
Base-Base interactions energy: -147.021
where: short stacking energy: -63.670
Base-Backbone interact. energy: -0.011
local terms energy: -74.004517
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -224.420043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.420043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.420043 (E_RNA)
where:
Base-Base interactions energy: -145.775
where: short stacking energy: -78.182
Base-Backbone interact. energy: -0.000
local terms energy: -78.645171
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -195.658925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.658925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.658925 (E_RNA)
where:
Base-Base interactions energy: -125.595
where: short stacking energy: -57.458
Base-Backbone interact. energy: -0.141
local terms energy: -69.923471
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -193.365929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.365929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.365929 (E_RNA)
where:
Base-Base interactions energy: -122.211
where: short stacking energy: -60.223
Base-Backbone interact. energy: -0.416
local terms energy: -70.739739
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -10.702
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: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -188.574848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.574848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.574848 (E_RNA)
where:
Base-Base interactions energy: -118.442
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.023
local terms energy: -70.109617
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -106.709774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.709774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.709774 (E_RNA)
where:
Base-Base interactions energy: -57.824
where: short stacking energy: -38.916
Base-Backbone interact. energy: -0.376
local terms energy: -48.510191
where:
bonds (distance) C4'-P energy: -5.582
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -97.019315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.019315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.019315 (E_RNA)
where:
Base-Base interactions energy: -37.284
where: short stacking energy: -36.774
Base-Backbone interact. energy: -0.154
local terms energy: -59.580799
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -7.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -79.413509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.413509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.413509 (E_RNA)
where:
Base-Base interactions energy: -24.675
where: short stacking energy: -24.464
Base-Backbone interact. energy: -0.325
local terms energy: -54.412873
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -79.251729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.251729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.251729 (E_RNA)
where:
Base-Base interactions energy: -33.984
where: short stacking energy: -28.965
Base-Backbone interact. energy: 1.024
local terms energy: -46.291205
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -217.167528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.167528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.167528 (E_RNA)
where:
Base-Base interactions energy: -139.129
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.273
local terms energy: -77.765655
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -216.165767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.165767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.165767 (E_RNA)
where:
Base-Base interactions energy: -139.505
where: short stacking energy: -69.801
Base-Backbone interact. energy: -0.006
local terms energy: -76.655427
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -11.660
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: 3, replica: 2
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -222.530640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.530640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.530640 (E_RNA)
where:
Base-Base interactions energy: -147.181
where: short stacking energy: -68.526
Base-Backbone interact. energy: -0.003
local terms energy: -75.346375
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -12.959
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: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -207.834540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.834540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.834540 (E_RNA)
where:
Base-Base interactions energy: -128.878
where: short stacking energy: -63.383
Base-Backbone interact. energy: -0.475
local terms energy: -78.481377
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -185.369426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.369426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.369426 (E_RNA)
where:
Base-Base interactions energy: -117.950
where: short stacking energy: -63.998
Base-Backbone interact. energy: -0.316
local terms energy: -67.104005
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -12.544
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: 485
Temperature: 1.150000
Total energy: -122.391902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.391902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.391902 (E_RNA)
where:
Base-Base interactions energy: -60.766
where: short stacking energy: -43.966
Base-Backbone interact. energy: -0.164
local terms energy: -61.461994
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -11.727
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: 7, replica: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -162.397595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.397595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.397595 (E_RNA)
where:
Base-Base interactions energy: -95.273
where: short stacking energy: -52.324
Base-Backbone interact. energy: 0.703
local terms energy: -67.827727
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -89.955311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.955311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.955311 (E_RNA)
where:
Base-Base interactions energy: -33.174
where: short stacking energy: -32.162
Base-Backbone interact. energy: -0.048
local terms energy: -56.733896
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -78.802173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.802173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.802173 (E_RNA)
where:
Base-Base interactions energy: -30.171
where: short stacking energy: -26.965
Base-Backbone interact. energy: -0.665
local terms energy: -47.965914
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -10.123
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -107.688068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.688068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.688068 (E_RNA)
where:
Base-Base interactions energy: -64.686
where: short stacking energy: -20.069
Base-Backbone interact. energy: -0.805
local terms energy: -42.196545
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -7.692
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -228.744750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.744750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.744750 (E_RNA)
where:
Base-Base interactions energy: -151.384
where: short stacking energy: -67.358
Base-Backbone interact. energy: -1.442
local terms energy: -75.917822
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -19.098
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: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -232.684804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.684804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.684804 (E_RNA)
where:
Base-Base interactions energy: -156.462
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.145
local terms energy: -76.078171
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -219.523258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.523258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.523258 (E_RNA)
where:
Base-Base interactions energy: -142.746
where: short stacking energy: -69.770
Base-Backbone interact. energy: -0.033
local terms energy: -76.744324
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -22.656
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: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -210.966363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.966363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.966363 (E_RNA)
where:
Base-Base interactions energy: -134.820
where: short stacking energy: -56.095
Base-Backbone interact. energy: -0.084
local terms energy: -76.062419
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -18.623
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: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -197.993643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.993643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.993643 (E_RNA)
where:
Base-Base interactions energy: -137.588
where: short stacking energy: -63.516
Base-Backbone interact. energy: -0.083
local terms energy: -60.322029
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -116.151926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.151926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.151926 (E_RNA)
where:
Base-Base interactions energy: -64.457
where: short stacking energy: -45.443
Base-Backbone interact. energy: -0.085
local terms energy: -51.609944
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -7.470
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -156.596287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.596287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.596287 (E_RNA)
where:
Base-Base interactions energy: -101.938
where: short stacking energy: -41.845
Base-Backbone interact. energy: 2.833
local terms energy: -57.491211
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -108.107896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.107896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.107896 (E_RNA)
where:
Base-Base interactions energy: -57.160
where: short stacking energy: -25.200
Base-Backbone interact. energy: -0.082
local terms energy: -50.866481
where:
bonds (distance) C4'-P energy: -6.367
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -113.081910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.081910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.081910 (E_RNA)
where:
Base-Base interactions energy: -72.959
where: short stacking energy: -35.353
Base-Backbone interact. energy: -0.278
local terms energy: -39.844696
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -6.127
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -83.794649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.794649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.794649 (E_RNA)
where:
Base-Base interactions energy: -40.391
where: short stacking energy: -40.391
Base-Backbone interact. energy: -0.295
local terms energy: -43.109357
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -4.443
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -232.656957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.656957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.656957 (E_RNA)
where:
Base-Base interactions energy: -151.725
where: short stacking energy: -71.839
Base-Backbone interact. energy: -0.099
local terms energy: -80.833291
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -227.820648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.820648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.820648 (E_RNA)
where:
Base-Base interactions energy: -150.376
where: short stacking energy: -61.917
Base-Backbone interact. energy: -0.184
local terms energy: -77.260410
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -21.064
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: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -219.768094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.768094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.768094 (E_RNA)
where:
Base-Base interactions energy: -138.025
where: short stacking energy: -69.324
Base-Backbone interact. energy: -0.622
local terms energy: -81.121219
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -22.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -210.022217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.022217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.022217 (E_RNA)
where:
Base-Base interactions energy: -133.182
where: short stacking energy: -65.804
Base-Backbone interact. energy: -1.186
local terms energy: -75.654786
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -11.483
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: 5, replica: 10
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -216.386259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.386259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.386259 (E_RNA)
where:
Base-Base interactions energy: -149.471
where: short stacking energy: -73.601
Base-Backbone interact. energy: -0.001
local terms energy: -66.914574
where:
bonds (distance) C4'-P energy: -5.158
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -160.342226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.342226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.342226 (E_RNA)
where:
Base-Base interactions energy: -102.343
where: short stacking energy: -43.803
Base-Backbone interact. energy: -0.196
local terms energy: -57.802850
where:
bonds (distance) C4'-P energy: -6.508
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -12.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -100.342166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.342166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.342166 (E_RNA)
where:
Base-Base interactions energy: -38.167
where: short stacking energy: -38.167
Base-Backbone interact. energy: -0.047
local terms energy: -62.127950
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -89.568152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.568152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.568152 (E_RNA)
where:
Base-Base interactions energy: -42.339
where: short stacking energy: -42.339
Base-Backbone interact. energy: 1.352
local terms energy: -48.581166
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -92.783448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.783448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.783448 (E_RNA)
where:
Base-Base interactions energy: -36.483
where: short stacking energy: -33.731
Base-Backbone interact. energy: -0.177
local terms energy: -56.123109
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -7.969
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: 10, replica: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -99.195565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.195565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.195565 (E_RNA)
where:
Base-Base interactions energy: -51.798
where: short stacking energy: -38.921
Base-Backbone interact. energy: -0.143
local terms energy: -47.254061
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -230.185818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.185818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.185818 (E_RNA)
where:
Base-Base interactions energy: -149.228
where: short stacking energy: -74.614
Base-Backbone interact. energy: -0.167
local terms energy: -80.791409
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -237.197330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.197330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.197330 (E_RNA)
where:
Base-Base interactions energy: -164.978
where: short stacking energy: -67.886
Base-Backbone interact. energy: 0.095
local terms energy: -72.313778
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -204.499541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.499541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.499541 (E_RNA)
where:
Base-Base interactions energy: -138.239
where: short stacking energy: -66.510
Base-Backbone interact. energy: -0.094
local terms energy: -66.166868
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -12.732
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: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -182.268257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.268257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.268257 (E_RNA)
where:
Base-Base interactions energy: -118.664
where: short stacking energy: -61.712
Base-Backbone interact. energy: -0.065
local terms energy: -63.538984
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -10.443
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: 5, replica: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -170.932081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.932081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.932081 (E_RNA)
where:
Base-Base interactions energy: -107.849
where: short stacking energy: -56.811
Base-Backbone interact. energy: -0.474
local terms energy: -62.608671
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -168.442588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.442588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.442588 (E_RNA)
where:
Base-Base interactions energy: -110.364
where: short stacking energy: -53.389
Base-Backbone interact. energy: 1.772
local terms energy: -59.850314
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -102.194809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.194809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.194809 (E_RNA)
where:
Base-Base interactions energy: -49.856
where: short stacking energy: -49.856
Base-Backbone interact. energy: -0.147
local terms energy: -52.192284
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -8.306
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -11.291
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: 488
Temperature: 1.250000
Total energy: -98.578889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.578889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.578889 (E_RNA)
where:
Base-Base interactions energy: -49.041
where: short stacking energy: -28.607
Base-Backbone interact. energy: -0.428
local terms energy: -49.109738
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -92.011259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.011259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.011259 (E_RNA)
where:
Base-Base interactions energy: -34.106
where: short stacking energy: -25.101
Base-Backbone interact. energy: -0.200
local terms energy: -57.704853
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: 0.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -77.606799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.606799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.606799 (E_RNA)
where:
Base-Base interactions energy: -29.671
where: short stacking energy: -23.952
Base-Backbone interact. energy: -0.228
local terms energy: -47.707732
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -225.757092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.757092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.757092 (E_RNA)
where:
Base-Base interactions energy: -151.407
where: short stacking energy: -69.803
Base-Backbone interact. energy: -0.025
local terms energy: -74.325850
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -229.235374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.235374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.235374 (E_RNA)
where:
Base-Base interactions energy: -154.366
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.064
local terms energy: -74.805894
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -12.104
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: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -213.888009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.888009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.888009 (E_RNA)
where:
Base-Base interactions energy: -134.995
where: short stacking energy: -72.713
Base-Backbone interact. energy: -0.011
local terms energy: -78.881717
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -14.823
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: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -196.528120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.528120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.528120 (E_RNA)
where:
Base-Base interactions energy: -124.149
where: short stacking energy: -61.442
Base-Backbone interact. energy: 0.003
local terms energy: -72.382245
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -178.965675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.965675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.965675 (E_RNA)
where:
Base-Base interactions energy: -109.601
where: short stacking energy: -55.447
Base-Backbone interact. energy: -0.225
local terms energy: -69.140306
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -12.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -166.266677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.266677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.266677 (E_RNA)
where:
Base-Base interactions energy: -100.055
where: short stacking energy: -51.271
Base-Backbone interact. energy: -0.218
local terms energy: -65.994220
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -10.969
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: 7, replica: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -93.916352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.916352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.916352 (E_RNA)
where:
Base-Base interactions energy: -42.474
where: short stacking energy: -42.474
Base-Backbone interact. energy: -0.427
local terms energy: -51.015306
where:
bonds (distance) C4'-P energy: -8.833
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -90.690411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.690411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.690411 (E_RNA)
where:
Base-Base interactions energy: -37.939
where: short stacking energy: -32.314
Base-Backbone interact. energy: -0.225
local terms energy: -52.526908
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -82.504907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.504907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.504907 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -33.085
Base-Backbone interact. energy: -0.091
local terms energy: -47.568486
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -8.993
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: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -82.592373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.592373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.592373 (E_RNA)
where:
Base-Base interactions energy: -36.409
where: short stacking energy: -36.409
Base-Backbone interact. energy: 0.822
local terms energy: -47.005570
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -4.863
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -225.103061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.103061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.103061 (E_RNA)
where:
Base-Base interactions energy: -145.509
where: short stacking energy: -71.775
Base-Backbone interact. energy: -0.000
local terms energy: -79.593448
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -221.671182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.671182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.671182 (E_RNA)
where:
Base-Base interactions energy: -141.757
where: short stacking energy: -71.836
Base-Backbone interact. energy: -0.007
local terms energy: -79.906823
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -209.500806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.500806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.500806 (E_RNA)
where:
Base-Base interactions energy: -141.193
where: short stacking energy: -61.244
Base-Backbone interact. energy: -0.380
local terms energy: -67.928112
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -210.821505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.821505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.821505 (E_RNA)
where:
Base-Base interactions energy: -136.350
where: short stacking energy: -61.934
Base-Backbone interact. energy: -0.868
local terms energy: -73.602930
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -178.739949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.739949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.739949 (E_RNA)
where:
Base-Base interactions energy: -108.031
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.122
local terms energy: -70.587408
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -172.631405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.631405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.631405 (E_RNA)
where:
Base-Base interactions energy: -106.997
where: short stacking energy: -57.034
Base-Backbone interact. energy: -0.168
local terms energy: -65.466313
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -95.267515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.267515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.267515 (E_RNA)
where:
Base-Base interactions energy: -44.891
where: short stacking energy: -22.993
Base-Backbone interact. energy: -0.548
local terms energy: -49.828509
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -11.432
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: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -88.809569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.809569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.809569 (E_RNA)
where:
Base-Base interactions energy: -50.259
where: short stacking energy: -34.097
Base-Backbone interact. energy: -0.061
local terms energy: -38.489650
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: 2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -82.300322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.300322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.300322 (E_RNA)
where:
Base-Base interactions energy: -35.125
where: short stacking energy: -35.964
Base-Backbone interact. energy: -0.185
local terms energy: -46.990054
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -80.584194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.584194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.584194 (E_RNA)
where:
Base-Base interactions energy: -28.371
where: short stacking energy: -27.291
Base-Backbone interact. energy: -0.056
local terms energy: -52.156527
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -216.796781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.796781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.796781 (E_RNA)
where:
Base-Base interactions energy: -145.389
where: short stacking energy: -72.103
Base-Backbone interact. energy: -0.038
local terms energy: -71.369055
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -213.630146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.630146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.630146 (E_RNA)
where:
Base-Base interactions energy: -134.290
where: short stacking energy: -64.656
Base-Backbone interact. energy: -0.123
local terms energy: -79.216535
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -228.893381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.893381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.893381 (E_RNA)
where:
Base-Base interactions energy: -154.836
where: short stacking energy: -51.203
Base-Backbone interact. energy: -0.443
local terms energy: -73.614565
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -10.251
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -9.454
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: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -183.583500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.583500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.583500 (E_RNA)
where:
Base-Base interactions energy: -114.803
where: short stacking energy: -55.847
Base-Backbone interact. energy: -0.932
local terms energy: -67.848484
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -194.691443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.691443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.691443 (E_RNA)
where:
Base-Base interactions energy: -114.961
where: short stacking energy: -60.541
Base-Backbone interact. energy: -0.457
local terms energy: -79.272481
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -127.770586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.770586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.770586 (E_RNA)
where:
Base-Base interactions energy: -65.636
where: short stacking energy: -54.895
Base-Backbone interact. energy: -1.115
local terms energy: -61.019741
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -9.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -165.470663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.470663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.470663 (E_RNA)
where:
Base-Base interactions energy: -109.173
where: short stacking energy: -43.920
Base-Backbone interact. energy: -0.518
local terms energy: -55.779888
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -88.205834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.205834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.205834 (E_RNA)
where:
Base-Base interactions energy: -36.016
where: short stacking energy: -36.016
Base-Backbone interact. energy: -0.087
local terms energy: -52.102814
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -4.533
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: 9, replica: 8
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -104.886053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.886053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.886053 (E_RNA)
where:
Base-Base interactions energy: -56.122
where: short stacking energy: -28.003
Base-Backbone interact. energy: 0.998
local terms energy: -49.761975
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -89.213979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.213979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.213979 (E_RNA)
where:
Base-Base interactions energy: -36.106
where: short stacking energy: -36.106
Base-Backbone interact. energy: -0.102
local terms energy: -53.005792
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -228.100936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.100936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.100936 (E_RNA)
where:
Base-Base interactions energy: -147.788
where: short stacking energy: -71.984
Base-Backbone interact. energy: -0.103
local terms energy: -80.209461
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -19.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -214.558653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.558653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.558653 (E_RNA)
where:
Base-Base interactions energy: -144.310
where: short stacking energy: -63.574
Base-Backbone interact. energy: -0.035
local terms energy: -70.213493
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -11.155
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: 3, replica: 6
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -223.002332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.002332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.002332 (E_RNA)
where:
Base-Base interactions energy: -147.133
where: short stacking energy: -64.901
Base-Backbone interact. energy: -0.483
local terms energy: -75.386246
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -10.488
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: 492
Temperature: 1.050000
Total energy: -190.023466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.023466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.023466 (E_RNA)
where:
Base-Base interactions energy: -121.749
where: short stacking energy: -64.510
Base-Backbone interact. energy: -0.085
local terms energy: -68.189703
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -8.343
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: 5, replica: 2
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -196.043584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.043584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.043584 (E_RNA)
where:
Base-Base interactions energy: -125.657
where: short stacking energy: -65.517
Base-Backbone interact. energy: -0.034
local terms energy: -70.352571
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -129.000502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.000502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.000502 (E_RNA)
where:
Base-Base interactions energy: -70.553
where: short stacking energy: -55.199
Base-Backbone interact. energy: 0.282
local terms energy: -58.730416
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -8.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -168.824171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.824171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.824171 (E_RNA)
where:
Base-Base interactions energy: -110.441
where: short stacking energy: -57.436
Base-Backbone interact. energy: -0.001
local terms energy: -58.381937
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -102.921403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.921403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.921403 (E_RNA)
where:
Base-Base interactions energy: -40.189
where: short stacking energy: -40.189
Base-Backbone interact. energy: -0.188
local terms energy: -62.545086
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -75.947725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.947725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.947725 (E_RNA)
where:
Base-Base interactions energy: -29.393
where: short stacking energy: -25.066
Base-Backbone interact. energy: -0.141
local terms energy: -46.413580
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -85.228714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.228714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.228714 (E_RNA)
where:
Base-Base interactions energy: -30.907
where: short stacking energy: -28.379
Base-Backbone interact. energy: -0.060
local terms energy: -54.261657
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -222.098780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.098780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.098780 (E_RNA)
where:
Base-Base interactions energy: -147.673
where: short stacking energy: -73.537
Base-Backbone interact. energy: -0.038
local terms energy: -74.388395
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -228.350942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.350942 (E_RNA)
where:
Base-Base interactions energy: -144.771
where: short stacking energy: -76.591
Base-Backbone interact. energy: -0.005
local terms energy: -83.574713
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -20.938
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: 6
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -221.800972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.800972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.800972 (E_RNA)
where:
Base-Base interactions energy: -153.619
where: short stacking energy: -62.744
Base-Backbone interact. energy: -0.218
local terms energy: -67.964297
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -204.815850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.815850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.815850 (E_RNA)
where:
Base-Base interactions energy: -126.785
where: short stacking energy: -62.117
Base-Backbone interact. energy: -0.484
local terms energy: -77.546811
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -12.835
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: 5, replica: 10
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -161.916263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.916263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.916263 (E_RNA)
where:
Base-Base interactions energy: -93.034
where: short stacking energy: -45.866
Base-Backbone interact. energy: -0.287
local terms energy: -68.595416
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -181.537818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.537818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.537818 (E_RNA)
where:
Base-Base interactions energy: -109.508
where: short stacking energy: -54.490
Base-Backbone interact. energy: -0.004
local terms energy: -72.026223
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -109.061598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.061598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.061598 (E_RNA)
where:
Base-Base interactions energy: -44.081
where: short stacking energy: -42.195
Base-Backbone interact. energy: -0.083
local terms energy: -64.897448
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -8.371
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: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -92.377400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.377400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.377400 (E_RNA)
where:
Base-Base interactions energy: -36.647
where: short stacking energy: -36.647
Base-Backbone interact. energy: -0.024
local terms energy: -55.705715
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -85.963945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.963945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.963945 (E_RNA)
where:
Base-Base interactions energy: -32.952
where: short stacking energy: -21.065
Base-Backbone interact. energy: 1.229
local terms energy: -54.240779
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -95.670519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.670519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.670519 (E_RNA)
where:
Base-Base interactions energy: -39.165
where: short stacking energy: -39.165
Base-Backbone interact. energy: -0.033
local terms energy: -56.472413
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -218.654129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.654129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.654129 (E_RNA)
where:
Base-Base interactions energy: -144.824
where: short stacking energy: -67.243
Base-Backbone interact. energy: -0.234
local terms energy: -73.596056
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -17.793
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: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -215.412410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.412410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.412410 (E_RNA)
where:
Base-Base interactions energy: -140.751
where: short stacking energy: -67.601
Base-Backbone interact. energy: -0.077
local terms energy: -74.583882
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -225.914400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.914400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.914400 (E_RNA)
where:
Base-Base interactions energy: -145.502
where: short stacking energy: -61.174
Base-Backbone interact. energy: -0.077
local terms energy: -80.335132
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -198.099107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.099107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.099107 (E_RNA)
where:
Base-Base interactions energy: -128.026
where: short stacking energy: -72.306
Base-Backbone interact. energy: -0.111
local terms energy: -69.962723
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -21.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -197.933963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.933963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.933963 (E_RNA)
where:
Base-Base interactions energy: -134.783
where: short stacking energy: -60.264
Base-Backbone interact. energy: -0.606
local terms energy: -62.544464
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -174.920105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.920105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.920105 (E_RNA)
where:
Base-Base interactions energy: -106.571
where: short stacking energy: -48.049
Base-Backbone interact. energy: -0.540
local terms energy: -67.809223
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -8.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -97.361989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.361989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.361989 (E_RNA)
where:
Base-Base interactions energy: -46.184
where: short stacking energy: -32.278
Base-Backbone interact. energy: -0.045
local terms energy: -51.133677
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -9.058
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -88.450807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.450807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.450807 (E_RNA)
where:
Base-Base interactions energy: -31.939
where: short stacking energy: -31.939
Base-Backbone interact. energy: -0.095
local terms energy: -56.417071
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -100.479782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.479782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.479782 (E_RNA)
where:
Base-Base interactions energy: -58.905
where: short stacking energy: -27.680
Base-Backbone interact. energy: -0.533
local terms energy: -41.041328
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -4.674
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: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -78.972689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.972689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.972689 (E_RNA)
where:
Base-Base interactions energy: -24.999
where: short stacking energy: -24.144
Base-Backbone interact. energy: 0.278
local terms energy: -54.251822
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -221.870225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.870225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.870225 (E_RNA)
where:
Base-Base interactions energy: -142.249
where: short stacking energy: -67.247
Base-Backbone interact. energy: -0.051
local terms energy: -79.570507
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -217.576305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.576305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.576305 (E_RNA)
where:
Base-Base interactions energy: -142.325
where: short stacking energy: -75.696
Base-Backbone interact. energy: -0.728
local terms energy: -74.523711
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -211.342021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.342021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.342021 (E_RNA)
where:
Base-Base interactions energy: -134.854
where: short stacking energy: -64.953
Base-Backbone interact. energy: -0.123
local terms energy: -76.365692
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -193.637605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.637605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.637605 (E_RNA)
where:
Base-Base interactions energy: -123.186
where: short stacking energy: -60.788
Base-Backbone interact. energy: -0.143
local terms energy: -70.307749
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -179.744748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.744748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.744748 (E_RNA)
where:
Base-Base interactions energy: -113.070
where: short stacking energy: -57.714
Base-Backbone interact. energy: -0.843
local terms energy: -65.832475
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -12.752
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: 10
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -170.831401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.831401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.831401 (E_RNA)
where:
Base-Base interactions energy: -107.868
where: short stacking energy: -57.424
Base-Backbone interact. energy: -1.051
local terms energy: -61.913031
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -100.973280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.973280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.973280 (E_RNA)
where:
Base-Base interactions energy: -44.880
where: short stacking energy: -42.676
Base-Backbone interact. energy: 1.143
local terms energy: -57.236147
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -97.758505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.758505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.758505 (E_RNA)
where:
Base-Base interactions energy: -41.783
where: short stacking energy: -40.639
Base-Backbone interact. energy: -0.094
local terms energy: -55.881816
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -81.866596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.866596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.866596 (E_RNA)
where:
Base-Base interactions energy: -35.624
where: short stacking energy: -34.745
Base-Backbone interact. energy: -0.171
local terms energy: -46.072272
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -78.587395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.587395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.587395 (E_RNA)
where:
Base-Base interactions energy: -27.101
where: short stacking energy: -20.967
Base-Backbone interact. energy: 1.490
local terms energy: -52.976597
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -5.716
flat angles P-C4'-P energy: -7.796
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: 1, replica: 6
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -224.466918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.466918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.466918 (E_RNA)
where:
Base-Base interactions energy: -137.049
where: short stacking energy: -77.486
Base-Backbone interact. energy: -0.005
local terms energy: -87.412768
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -212.742429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.742429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.742429 (E_RNA)
where:
Base-Base interactions energy: -138.891
where: short stacking energy: -69.484
Base-Backbone interact. energy: -0.010
local terms energy: -73.841051
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -198.715363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.715363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.715363 (E_RNA)
where:
Base-Base interactions energy: -123.653
where: short stacking energy: -62.154
Base-Backbone interact. energy: -2.036
local terms energy: -73.025709
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -187.341552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.341552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.341552 (E_RNA)
where:
Base-Base interactions energy: -112.019
where: short stacking energy: -61.852
Base-Backbone interact. energy: -1.044
local terms energy: -74.279170
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -184.007394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.007394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.007394 (E_RNA)
where:
Base-Base interactions energy: -117.667
where: short stacking energy: -56.566
Base-Backbone interact. energy: -0.119
local terms energy: -66.220879
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -166.200498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.200498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.200498 (E_RNA)
where:
Base-Base interactions energy: -108.465
where: short stacking energy: -47.866
Base-Backbone interact. energy: -0.476
local terms energy: -57.259926
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -91.859969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.859969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.859969 (E_RNA)
where:
Base-Base interactions energy: -34.582
where: short stacking energy: -34.582
Base-Backbone interact. energy: -0.349
local terms energy: -56.929104
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -2.887
tors. eta vs tors. theta energy: -5.121
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: 496
Temperature: 1.250000
Total energy: -86.026353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.026353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.026353 (E_RNA)
where:
Base-Base interactions energy: -36.396
where: short stacking energy: -31.706
Base-Backbone interact. energy: 0.069
local terms energy: -49.699931
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -85.300093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.300093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.300093 (E_RNA)
where:
Base-Base interactions energy: -36.120
where: short stacking energy: -36.120
Base-Backbone interact. energy: 1.125
local terms energy: -50.304886
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -0.710
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -87.594613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.594613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.594613 (E_RNA)
where:
Base-Base interactions energy: -44.594
where: short stacking energy: -44.594
Base-Backbone interact. energy: -0.017
local terms energy: -42.983480
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -2.178
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -219.402573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.402573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.402573 (E_RNA)
where:
Base-Base interactions energy: -145.997
where: short stacking energy: -75.751
Base-Backbone interact. energy: -0.383
local terms energy: -73.022821
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -216.982376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.982376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.982376 (E_RNA)
where:
Base-Base interactions energy: -138.027
where: short stacking energy: -76.186
Base-Backbone interact. energy: 0.289
local terms energy: -79.244332
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -190.202562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.202562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.202562 (E_RNA)
where:
Base-Base interactions energy: -118.972
where: short stacking energy: -61.638
Base-Backbone interact. energy: -0.131
local terms energy: -71.099734
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -13.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -209.307071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.307071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.307071 (E_RNA)
where:
Base-Base interactions energy: -137.306
where: short stacking energy: -63.581
Base-Backbone interact. energy: -0.098
local terms energy: -71.903416
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -182.148449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.148449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.148449 (E_RNA)
where:
Base-Base interactions energy: -113.428
where: short stacking energy: -62.520
Base-Backbone interact. energy: -0.114
local terms energy: -68.606087
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -8.829
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: 6, replica: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -179.571711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.571711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.571711 (E_RNA)
where:
Base-Base interactions energy: -116.474
where: short stacking energy: -55.385
Base-Backbone interact. energy: -0.346
local terms energy: -62.751634
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -85.749700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.749700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.749700 (E_RNA)
where:
Base-Base interactions energy: -38.384
where: short stacking energy: -28.523
Base-Backbone interact. energy: -0.278
local terms energy: -47.087164
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: 0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -97.919773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.919773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.919773 (E_RNA)
where:
Base-Base interactions energy: -47.214
where: short stacking energy: -37.613
Base-Backbone interact. energy: 0.604
local terms energy: -51.309227
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -13.538
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: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -87.541105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.541105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.541105 (E_RNA)
where:
Base-Base interactions energy: -40.658
where: short stacking energy: -29.289
Base-Backbone interact. energy: -1.177
local terms energy: -45.705757
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -87.037310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.037310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.037310 (E_RNA)
where:
Base-Base interactions energy: -36.293
where: short stacking energy: -36.293
Base-Backbone interact. energy: -0.082
local terms energy: -50.663200
where:
bonds (distance) C4'-P energy: -8.459
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -223.557269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.557269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.557269 (E_RNA)
where:
Base-Base interactions energy: -147.813
where: short stacking energy: -59.214
Base-Backbone interact. energy: -0.736
local terms energy: -75.008857
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -223.948006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.948006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.948006 (E_RNA)
where:
Base-Base interactions energy: -143.929
where: short stacking energy: -62.768
Base-Backbone interact. energy: -0.244
local terms energy: -79.775179
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -10.153
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: 498
Temperature: 1.000000
Total energy: -215.251603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.251603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.251603 (E_RNA)
where:
Base-Base interactions energy: -139.633
where: short stacking energy: -68.861
Base-Backbone interact. energy: -0.000
local terms energy: -75.618012
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -195.576553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.576553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.576553 (E_RNA)
where:
Base-Base interactions energy: -125.426
where: short stacking energy: -57.774
Base-Backbone interact. energy: -0.339
local terms energy: -69.811393
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -170.404201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.404201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.404201 (E_RNA)
where:
Base-Base interactions energy: -107.724
where: short stacking energy: -53.005
Base-Backbone interact. energy: -0.451
local terms energy: -62.229067
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -162.913702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.913702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.913702 (E_RNA)
where:
Base-Base interactions energy: -107.698
where: short stacking energy: -49.589
Base-Backbone interact. energy: 0.623
local terms energy: -55.838325
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -98.985332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.985332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.985332 (E_RNA)
where:
Base-Base interactions energy: -45.059
where: short stacking energy: -36.987
Base-Backbone interact. energy: -0.081
local terms energy: -53.845785
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -89.310328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.310328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.310328 (E_RNA)
where:
Base-Base interactions energy: -39.203
where: short stacking energy: -26.509
Base-Backbone interact. energy: 1.391
local terms energy: -51.498674
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: 0.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -83.727520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.727520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.727520 (E_RNA)
where:
Base-Base interactions energy: -34.762
where: short stacking energy: -31.634
Base-Backbone interact. energy: -0.179
local terms energy: -48.786722
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: 2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -84.927408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.927408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.927408 (E_RNA)
where:
Base-Base interactions energy: -40.890
where: short stacking energy: -35.209
Base-Backbone interact. energy: -0.335
local terms energy: -43.701639
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -3.300
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -5.280
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: 1, replica: 6
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -236.394351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.394351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.394351 (E_RNA)
where:
Base-Base interactions energy: -161.177
where: short stacking energy: -69.567
Base-Backbone interact. energy: -0.022
local terms energy: -75.195735
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -213.130471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.130471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.130471 (E_RNA)
where:
Base-Base interactions energy: -145.351
where: short stacking energy: -70.883
Base-Backbone interact. energy: -0.855
local terms energy: -66.925277
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -198.031709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.031709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.031709 (E_RNA)
where:
Base-Base interactions energy: -126.235
where: short stacking energy: -65.650
Base-Backbone interact. energy: -0.094
local terms energy: -71.702536
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -15.529
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: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -202.058825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.058825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.058825 (E_RNA)
where:
Base-Base interactions energy: -126.423
where: short stacking energy: -54.442
Base-Backbone interact. energy: 0.695
local terms energy: -76.330399
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -11.101
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: 5, replica: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -193.535152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.535152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.535152 (E_RNA)
where:
Base-Base interactions energy: -124.895
where: short stacking energy: -55.318
Base-Backbone interact. energy: 0.265
local terms energy: -68.905161
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -176.835787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.835787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.835787 (E_RNA)
where:
Base-Base interactions energy: -109.978
where: short stacking energy: -53.803
Base-Backbone interact. energy: -0.013
local terms energy: -66.844843
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -16.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -104.705334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.705334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.705334 (E_RNA)
where:
Base-Base interactions energy: -50.307
where: short stacking energy: -47.441
Base-Backbone interact. energy: 0.196
local terms energy: -54.595038
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -100.718288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.718288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.718288 (E_RNA)
where:
Base-Base interactions energy: -46.877
where: short stacking energy: -19.416
Base-Backbone interact. energy: -0.225
local terms energy: -53.615524
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -4.502
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: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -88.941986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.941986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.941986 (E_RNA)
where:
Base-Base interactions energy: -38.382
where: short stacking energy: -24.968
Base-Backbone interact. energy: -0.107
local terms energy: -50.452917
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -85.465842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.465842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.465842 (E_RNA)
where:
Base-Base interactions energy: -36.902
where: short stacking energy: -32.551
Base-Backbone interact. energy: -0.129
local terms energy: -48.435214
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -9.726
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: 1, replica: 6
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -233.898408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.898408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.898408 (E_RNA)
where:
Base-Base interactions energy: -157.374
where: short stacking energy: -71.927
Base-Backbone interact. energy: -0.464
local terms energy: -76.059854
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -8.469
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: 5
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -219.912562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.912562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.912562 (E_RNA)
where:
Base-Base interactions energy: -133.838
where: short stacking energy: -76.933
Base-Backbone interact. energy: -2.186
local terms energy: -83.889085
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -24.293
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: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -199.824398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.824398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.824398 (E_RNA)
where:
Base-Base interactions energy: -130.604
where: short stacking energy: -68.833
Base-Backbone interact. energy: 0.771
local terms energy: -69.991050
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -13.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -204.093388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.093388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.093388 (E_RNA)
where:
Base-Base interactions energy: -135.508
where: short stacking energy: -69.196
Base-Backbone interact. energy: -1.117
local terms energy: -67.469100
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -205.642329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.642329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.642329 (E_RNA)
where:
Base-Base interactions energy: -133.002
where: short stacking energy: -63.205
Base-Backbone interact. energy: 0.345
local terms energy: -72.985875
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -21.176
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: 2
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -174.278309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.278309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.278309 (E_RNA)
where:
Base-Base interactions energy: -109.835
where: short stacking energy: -61.878
Base-Backbone interact. energy: -0.122
local terms energy: -64.321272
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -106.152226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.152226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.152226 (E_RNA)
where:
Base-Base interactions energy: -52.486
where: short stacking energy: -45.985
Base-Backbone interact. energy: -0.311
local terms energy: -53.355185
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -8.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -96.352850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.352850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.352850 (E_RNA)
where:
Base-Base interactions energy: -48.166
where: short stacking energy: -18.891
Base-Backbone interact. energy: -0.377
local terms energy: -47.809559
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: 2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -81.665214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.665214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.665214 (E_RNA)
where:
Base-Base interactions energy: -36.649
where: short stacking energy: -24.114
Base-Backbone interact. energy: -0.049
local terms energy: -44.966490
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: 0.414
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -87.393692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.393692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.393692 (E_RNA)
where:
Base-Base interactions energy: -38.252
where: short stacking energy: -38.252
Base-Backbone interact. energy: -0.204
local terms energy: -48.938364
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -249.803685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.803685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.803685 (E_RNA)
where:
Base-Base interactions energy: -168.153
where: short stacking energy: -80.918
Base-Backbone interact. energy: -0.190
local terms energy: -81.460894
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -23.049
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: 3
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -210.885395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.885395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.885395 (E_RNA)
where:
Base-Base interactions energy: -132.485
where: short stacking energy: -71.419
Base-Backbone interact. energy: -0.211
local terms energy: -78.189106
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -21.856
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: 501
Temperature: 1.000000
Total energy: -207.752852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.752852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.752852 (E_RNA)
where:
Base-Base interactions energy: -138.543
where: short stacking energy: -58.086
Base-Backbone interact. energy: -0.468
local terms energy: -68.740964
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -202.056768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.056768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.056768 (E_RNA)
where:
Base-Base interactions energy: -124.468
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.542
local terms energy: -77.046460
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -175.379944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.379944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.379944 (E_RNA)
where:
Base-Base interactions energy: -105.349
where: short stacking energy: -59.999
Base-Backbone interact. energy: -0.021
local terms energy: -70.009178
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -16.752
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: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -180.857332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.857332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.857332 (E_RNA)
where:
Base-Base interactions energy: -113.492
where: short stacking energy: -62.134
Base-Backbone interact. energy: -0.422
local terms energy: -66.944074
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -97.716430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.716430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.716430 (E_RNA)
where:
Base-Base interactions energy: -44.867
where: short stacking energy: -41.416
Base-Backbone interact. energy: -1.067
local terms energy: -51.782510
where:
bonds (distance) C4'-P energy: -7.042
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -100.688825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.688825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.688825 (E_RNA)
where:
Base-Base interactions energy: -38.779
where: short stacking energy: -38.779
Base-Backbone interact. energy: -1.192
local terms energy: -60.717518
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -86.816188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.816188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.816188 (E_RNA)
where:
Base-Base interactions energy: -45.001
where: short stacking energy: -45.001
Base-Backbone interact. energy: -0.173
local terms energy: -41.642746
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -3.606
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -89.769942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.769942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.769942 (E_RNA)
where:
Base-Base interactions energy: -37.055
where: short stacking energy: -35.033
Base-Backbone interact. energy: 0.147
local terms energy: -52.862353
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 14684438
moves confirmed later: 17040415
all moves confirmed: 31724853
percent of confirmed moves: 3.965607
current total energy: -211.819244
recalc. total energy: -211.819244
replica 3 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 14925049
moves confirmed later: 17083902
all moves confirmed: 32008951
percent of confirmed moves: 4.001119
current total energy: -175.221006
recalc. total energy: -175.221006
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 16121630
moves confirmed later: 18926003
all moves confirmed: 35047633
percent of confirmed moves: 4.380954
current total energy: -183.652905
recalc. total energy: -183.652905
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 20978582
moves confirmed later: 25089105
all moves confirmed: 46067687
percent of confirmed moves: 5.758461
current total energy: -178.711548
recalc. total energy: -178.711548
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 19956311
moves confirmed later: 23921746
all moves confirmed: 43878057
percent of confirmed moves: 5.484757
current total energy: -156.628655
recalc. total energy: -156.628655
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 15902363
moves confirmed later: 18409847
all moves confirmed: 34312210
percent of confirmed moves: 4.289026
current total energy: -148.881922
recalc. total energy: -148.881922
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 19129860
moves confirmed later: 22677083
all moves confirmed: 41806943
percent of confirmed moves: 5.225868
current total energy: -65.502492
recalc. total energy: -65.502492
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 22551211
moves confirmed later: 27288391
all moves confirmed: 49839602
percent of confirmed moves: 6.229950
current total energy: -48.381223
recalc. total energy: -48.381223
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 19420195
moves confirmed later: 23229677
all moves confirmed: 42649872
percent of confirmed moves: 5.331234
current total energy: -13.882986
recalc. total energy: -13.882986
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 23730432
moves confirmed later: 28789225
all moves confirmed: 52519657
percent of confirmed moves: 6.564957
current total energy: -35.042734
recalc. total energy: -35.042734
out arg RESULTS//1/ALKV-26630dac_01
Time of doing 8000000 iterations: 3226.746 seconds